[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide

C176H264N2O202S28-32 — CID 158499246

IUPAC[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide
SMILESCOC1C(OC)[C@H](O[C@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]3OC(C(=O)[O-])[C@@H](O)[C@H](OC)C3OC)C(OSOO[O-])C2OO[O-])[C@H](C(=O)[O-])O[C@H]1O[C@@H]1C(COO[O-])O[C@H](OC)C(OSOO[O-])[C@H]1OSOO[O-].COC1C(OC)[C@H](O[C@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]3OC(C(=O)[O-])[C@@H](O)[C@H](OC)C3OC)C(OSOO[O-])C2OSOO[O-])[C@H](C(=O)[O-])O[C@H]1O[C@@H]1C(COSOO[O-])O[C@H](OC)C(OSOO[O-])[C@H]1OSOO[O-].COCC1O[C@@H](O[C@H]2C(OC)C(OC)[C@@H](O[C@H]3C(OC)C(OC)[C@H](O[C@@H]4C(COS(=O)(=O)[O-])O[C@@H](O)C(OC)[C@H]4OC)O[C@H]3COC)O[C@H]2COC)C(OC)[C@@H](OC)[C@@H]1O[C@H]1OC(CN)[C@@H](O[C@@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@H]3O[C@@H](COS(=O)(=O)[O-])[C@@H](OSOO[O-])C(OSOO[O-])C3OSOO[O-])C(OSOO[O-])C2OS(=O)(=O)[O-])[C@H](OC)C1OC.COCC1O[C@@H](O[C@H]2C(OC)C(OC)[C@@H](O[C@H]3C(OC)C(OC)[C@H](O[C@@H]4C(COS(=O)(=O)[O-])O[C@@H](O)C(OC)[C@H]4OC)O[C@H]3COC)O[C@H]2COC)C(OC)[C@@H](OC)[C@@H]1O[C@H]1OC(CN2C(=O)c3ccccc3C2=O)[C@@H](O[C@@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@H]3O[C@@H](COS(=O)(=O)[O-])[C@@H](OSOO[O-])C(OSOO[O-])C3OSOO[O-])C(OSOO[O-])C2OS(=O)(=O)[O-])[C@H](OC)C1OC.O=S.O=S
InChIInChI=1S/C63H101NO61S8.C55H99NO59S8.C29H48O41S6.C29H48O39S4.2OS/c1-84-19-28-35(43(89-6)50(94-11)59(102-28)109-36-29(20-85-2)103-60(51(95-12)44(36)90-7)110-37-30(21-86-3)104-61(52(96-13)45(37)91-8)111-38-31(22-97-130(72,73)74)100-57(67)48(92-9)41(38)87-4)108-58-49(93-10)42(88-5)34(27(101-58)18-64-55(65)25-16-14-15-17-26(25)56(64)66)107-63-54(117-133(81,82)83)46(114-127-123-119-69)39(32(105-63)23-98-131(75,76)77)112-62-53(116-129-125-121-71)47(115-128-124-120-70)40(113-126-122-118-68)33(106-62)24-99-132(78,79)80;1-74-15-22-29(37(79-6)44(84-11)51(92-22)99-30-23(16-75-2)93-52(45(85-12)38(30)80-7)100-31-24(17-76-3)94-53(46(86-13)39(31)81-8)101-32-25(18-87-120(62,63)64)90-49(57)42(82-9)35(32)77-4)98-50-43(83-10)36(78-5)28(21(14-56)91-50)97-55-48(107-123(71,72)73)40(104-117-113-109-59)33(26(95-55)19-88-121(65,66)67)102-54-47(106-119-115-111-61)41(105-118-114-110-60)34(103-116-112-108-58)27(96-54)20-89-122(68,69)70;1-43-13-10(30)14(24(31)32)54-27(20(13)45-3)53-12-9(7-49-76(40,41)42)51-29(23(60-75-70-65-39)18(12)58-73-68-63-37)55-16-15(44-2)21(46-4)28(56-19(16)25(33)34)52-11-8(6-48-71-66-61-35)50-26(47-5)22(59-74-69-64-38)17(11)57-72-67-62-36;1-43-13-10(30)14(24(31)32)54-27(20(13)45-3)53-12-9(7-49-72(40,41)42)51-29(22(57-62-36)17(12)58-69-66-63-37)55-16-15(44-2)21(46-4)28(56-19(16)25(33)34)52-11-8(6-48-61-35)50-26(47-5)23(60-71-68-65-39)18(11)59-70-67-64-38;2*1-2/h14-17,27-54,57-63,67-71H,18-24H2,1-13H3,(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83);21-55,57-61H,14-20,56H2,1-13H3,(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73);8-23,26-30,35-39H,6-7H2,1-5H3,(H,31,32)(H,33,34)(H,40,41,42);8-23,26-30,35-39H,6-7H2,1-5H3,(H,31,32)(H,33,34)(H,40,41,42);;/p-32/t27?,28?,29-,30-,31?,32-,33-,34+,35+,36+,37+,38+,39+,40+,41-,42-,43-,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,57+,58+,59-,60+,61-,62+,63-;21?,22?,23-,24-,25?,26-,27-,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49+,50+,51-,52+,53-,54+,55-;8?,9-,10-,11+,12+,13-,14?,15?,16-,17-,18?,19+,20?,21?,22?,23?,26-,27+,28+,29+;8?,9-,10-,11+,12+,13-,14?,15?,16-,17?,18-,19+,20?,21?,22?,23?,26-,27+,28+,29+;;/m0000../s1
InChIKeyHJRMNXYJOHNSHT-XBYFTXDESA-A
MW6537.74 g/mol
LogP-42.59
Rot. Bonds183

About [(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide

[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide (PubChem CID 158499246) has the molecular formula C176H264N2O202S28-32 and a molecular weight of 6537.74 g/mol. Its IUPAC name is [(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide.

Molecular Properties

Compound Name[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide
PubChem CID158499246
Molecular FormulaC176H264N2O202S28-32
Molecular Weight6537.74 g/mol
Exact Mass6532.28
IUPAC Name[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide
SMILESCOC1C(OC)[C@H](O[C@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]3OC(C(=O)[O-])[C@@H](O)[C@H](OC)C3OC)C(OSOO[O-])C2OO[O-])[C@H](C(=O)[O-])O[C@H]1O[C@@H]1C(COO[O-])O[C@H](OC)C(OSOO[O-])[C@H]1OSOO[O-].COC1C(OC)[C@H](O[C@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]3OC(C(=O)[O-])[C@@H](O)[C@H](OC)C3OC)C(OSOO[O-])C2OSOO[O-])[C@H](C(=O)[O-])O[C@H]1O[C@@H]1C(COSOO[O-])O[C@H](OC)C(OSOO[O-])[C@H]1OSOO[O-].COCC1O[C@@H](O[C@H]2C(OC)C(OC)[C@@H](O[C@H]3C(OC)C(OC)[C@H](O[C@@H]4C(COS(=O)(=O)[O-])O[C@@H](O)C(OC)[C@H]4OC)O[C@H]3COC)O[C@H]2COC)C(OC)[C@@H](OC)[C@@H]1O[C@H]1OC(CN)[C@@H](O[C@@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@H]3O[C@@H](COS(=O)(=O)[O-])[C@@H](OSOO[O-])C(OSOO[O-])C3OSOO[O-])C(OSOO[O-])C2OS(=O)(=O)[O-])[C@H](OC)C1OC.COCC1O[C@@H](O[C@H]2C(OC)C(OC)[C@@H](O[C@H]3C(OC)C(OC)[C@H](O[C@@H]4C(COS(=O)(=O)[O-])O[C@@H](O)C(OC)[C@H]4OC)O[C@H]3COC)O[C@H]2COC)C(OC)[C@@H](OC)[C@@H]1O[C@H]1OC(CN2C(=O)c3ccccc3C2=O)[C@@H](O[C@@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@H]3O[C@@H](COS(=O)(=O)[O-])[C@@H](OSOO[O-])C(OSOO[O-])C3OSOO[O-])C(OSOO[O-])C2OS(=O)(=O)[O-])[C@H](OC)C1OC.O=S.O=S
InChIInChI=1S/C63H101NO61S8.C55H99NO59S8.C29H48O41S6.C29H48O39S4.2OS/c1-84-19-28-35(43(89-6)50(94-11)59(102-28)109-36-29(20-85-2)103-60(51(95-12)44(36)90-7)110-37-30(21-86-3)104-61(52(96-13)45(37)91-8)111-38-31(22-97-130(72,73)74)100-57(67)48(92-9)41(38)87-4)108-58-49(93-10)42(88-5)34(27(101-58)18-64-55(65)25-16-14-15-17-26(25)56(64)66)107-63-54(117-133(81,82)83)46(114-127-123-119-69)39(32(105-63)23-98-131(75,76)77)112-62-53(116-129-125-121-71)47(115-128-124-120-70)40(113-126-122-118-68)33(106-62)24-99-132(78,79)80;1-74-15-22-29(37(79-6)44(84-11)51(92-22)99-30-23(16-75-2)93-52(45(85-12)38(30)80-7)100-31-24(17-76-3)94-53(46(86-13)39(31)81-8)101-32-25(18-87-120(62,63)64)90-49(57)42(82-9)35(32)77-4)98-50-43(83-10)36(78-5)28(21(14-56)91-50)97-55-48(107-123(71,72)73)40(104-117-113-109-59)33(26(95-55)19-88-121(65,66)67)102-54-47(106-119-115-111-61)41(105-118-114-110-60)34(103-116-112-108-58)27(96-54)20-89-122(68,69)70;1-43-13-10(30)14(24(31)32)54-27(20(13)45-3)53-12-9(7-49-76(40,41)42)51-29(23(60-75-70-65-39)18(12)58-73-68-63-37)55-16-15(44-2)21(46-4)28(56-19(16)25(33)34)52-11-8(6-48-71-66-61-35)50-26(47-5)22(59-74-69-64-38)17(11)57-72-67-62-36;1-43-13-10(30)14(24(31)32)54-27(20(13)45-3)53-12-9(7-49-72(40,41)42)51-29(22(57-62-36)17(12)58-69-66-63-37)55-16-15(44-2)21(46-4)28(56-19(16)25(33)34)52-11-8(6-48-61-35)50-26(47-5)23(60-71-68-65-39)18(11)59-70-67-64-38;2*1-2/h14-17,27-54,57-63,67-71H,18-24H2,1-13H3,(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83);21-55,57-61H,14-20,56H2,1-13H3,(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73);8-23,26-30,35-39H,6-7H2,1-5H3,(H,31,32)(H,33,34)(H,40,41,42);8-23,26-30,35-39H,6-7H2,1-5H3,(H,31,32)(H,33,34)(H,40,41,42);;/p-32/t27?,28?,29-,30-,31?,32-,33-,34+,35+,36+,37+,38+,39+,40+,41-,42-,43-,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,57+,58+,59-,60+,61-,62+,63-;21?,22?,23-,24-,25?,26-,27-,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49+,50+,51-,52+,53-,54+,55-;8?,9-,10-,11+,12+,13-,14?,15?,16-,17-,18?,19+,20?,21?,22?,23?,26-,27+,28+,29+;8?,9-,10-,11+,12+,13-,14?,15?,16-,17?,18-,19+,20?,21?,22?,23?,26-,27+,28+,29+;;/m0000../s1
InChIKeyHJRMNXYJOHNSHT-XBYFTXDESA-A
XLogP-42.59
TPSA2599.80 Ų
H-Bond Donors5
H-Bond Acceptors221
Rotatable Bonds183
Heavy Atoms408
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5006537.74
LogP ≤ 5-42.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 10221

Analyze [(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide with MolForge

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Launch Full Analysis

Related Compounds

nonasodium;6-[6-[2-carboxylato-4,5-dimethoxy-6-[6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[3,4,5-trimethoxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
CID 59229620
[(3R,4S)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-5-[(2S,5R,6S)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,5R,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl acetate
CID 88937272
[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2S,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-3-sulfooxy-6-(sulfooxymethyl)-5-[(2R,5R,6S)-6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl hydrogen sulfate
CID 90963914
(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-[[6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoylamino]methyl]oxan-3-yl]oxy-4-oxidoperoxysulfanyloxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate
CID 157140616
[(2S,3S,6S)-6-[(3R,4S,6R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3R,4S,6S)-6-[(2S,3R,6R)-6-[(2S,3R,6S)-6-[(3R,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 88937275
[(2R,3S,6R)-6-[(3S,4S,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4S,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 58672831
[(3R,6S)-4,5-diacetyloxy-6-[(3R,4R,6S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-6-[(3R,4S,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3-[(2R,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 90690520
octasodium;(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4-ethoxy-5-hydroxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4S,5R,6S)-2-carboxylato-6-[(2R,3R,4S,5R,6S)-4,6-dimethoxy-5-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylate
CID 71476263
6-[6-[2-carboxylato-4,5-dimethoxy-6-[4-methoxy-6-methyl-5-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[3,4,5-trimethoxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
CID 20770269
[(2R,5R,6R)-2-[(3S,4S,6S)-6-[(3S,4S,6S)-6-[(2R,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2R,3R,6S)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-[[6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoylamino]methyl]oxan-3-yl]oxy-4-oxidoperoxysulfanyloxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6R)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate
CID 59979186
6-[6-[2-carboxy-4,5-dimethoxy-6-[6-methoxy-4,5-bis(trioxidanylsulfanyloxy)-2-(trioxidanylsulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-2-(sulfooxymethyl)-4,5-bis(trioxidanylsulfanyloxy)oxan-3-yl]oxy-4,5-dimethoxy-3-[3,4,5-trimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
CID 59229621
[(3R,6R)-4,5-diacetyloxy-6-[(3S,4S,6S)-6-[(3S,4S,6S)-6-[(2R,3R,6R)-6-[(2R,3R,6R)-6-[(3S,4R,6S)-4,5-dimethoxy-6-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxyoxan-3-yl]oxy-3-[(2R,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 59979194

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide?
The IUPAC name of [(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide (CID 158499246) is [(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide.
What is the SMILES notation for [(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide?
The canonical SMILES for [(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide is COC1C(OC)[C@H](O[C@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]3OC(C(=O)[O-])[C@@H](O)[C@H](OC)C3OC)C(OSOO[O-])C2OO[O-])[C@H](C(=O)[O-])O[C@H]1O[C@@H]1C(COO[O-])O[C@H](OC)C(OSOO[O-])[C@H]1OSOO[O-].COC1C(OC)[C@H](O[C@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]3OC(C(=O)[O-])[C@@H](O)[C@H](OC)C3OC)C(OSOO[O-])C2OSOO[O-])[C@H](C(=O)[O-])O[C@H]1O[C@@H]1C(COSOO[O-])O[C@H](OC)C(OSOO[O-])[C@H]1OSOO[O-].COCC1O[C@@H](O[C@H]2C(OC)C(OC)[C@@H](O[C@H]3C(OC)C(OC)[C@H](O[C@@H]4C(COS(=O)(=O)[O-])O[C@@H](O)C(OC)[C@H]4OC)O[C@H]3COC)O[C@H]2COC)C(OC)[C@@H](OC)[C@@H]1O[C@H]1OC(CN)[C@@H](O[C@@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@H]3O[C@@H](COS(=O)(=O)[O-])[C@@H](OSOO[O-])C(OSOO[O-])C3OSOO[O-])C(OSOO[O-])C2OS(=O)(=O)[O-])[C@H](OC)C1OC.COCC1O[C@@H](O[C@H]2C(OC)C(OC)[C@@H](O[C@H]3C(OC)C(OC)[C@H](O[C@@H]4C(COS(=O)(=O)[O-])O[C@@H](O)C(OC)[C@H]4OC)O[C@H]3COC)O[C@H]2COC)C(OC)[C@@H](OC)[C@@H]1O[C@H]1OC(CN2C(=O)c3ccccc3C2=O)[C@@H](O[C@@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@H]3O[C@@H](COS(=O)(=O)[O-])[C@@H](OSOO[O-])C(OSOO[O-])C3OSOO[O-])C(OSOO[O-])C2OS(=O)(=O)[O-])[C@H](OC)C1OC.O=S.O=S.
What is the InChIKey of [(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide?
The InChIKey is HJRMNXYJOHNSHT-XBYFTXDESA-A. The full InChI is InChI=1S/C63H101NO61S8.C55H99NO59S8.C29H48O41S6.C29H48O39S4.2OS/c1-84-19-28-35(43(89-6)50(94-11)59(102-28)109-36-29(20-85-2)103-60(51(95-12)44(36)90-7)110-37-30(21-86-3)104-61(52(96-13)45(37)91-8)111-38-31(22-97-130(72,73)74)100-57(67)48(92-9)41(38)87-4)108-58-49(93-10)42(88-5)34(27(101-58)18-64-55(65)25-16-14-15-17-26(25)56(64)66)107-63-54(117-133(81,82)83)46(114-127-123-119-69)39(32(105-63)23-98-131(75,76)77)112-62-53(116-129-125-121-71)47(115-128-124-120-70)40(113-126-122-118-68)33(106-62)24-99-132(78,79)80;1-74-15-22-29(37(79-6)44(84-11)51(92-22)99-30-23(16-75-2)93-52(45(85-12)38(30)80-7)100-31-24(17-76-3)94-53(46(86-13)39(31)81-8)101-32-25(18-87-120(62,63)64)90-49(57)42(82-9)35(32)77-4)98-50-43(83-10)36(78-5)28(21(14-56)91-50)97-55-48(107-123(71,72)73)40(104-117-113-109-59)33(26(95-55)19-88-121(65,66)67)102-54-47(106-119-115-111-61)41(105-118-114-110-60)34(103-116-112-108-58)27(96-54)20-89-122(68,69)70;1-43-13-10(30)14(24(31)32)54-27(20(13)45-3)53-12-9(7-49-76(40,41)42)51-29(23(60-75-70-65-39)18(12)58-73-68-63-37)55-16-15(44-2)21(46-4)28(56-19(16)25(33)34)52-11-8(6-48-71-66-61-35)50-26(47-5)22(59-74-69-64-38)17(11)57-72-67-62-36;1-43-13-10(30)14(24(31)32)54-27(20(13)45-3)53-12-9(7-49-72(40,41)42)51-29(22(57-62-36)17(12)58-69-66-63-37)55-16-15(44-2)21(46-4)28(56-19(16)25(33)34)52-11-8(6-48-61-35)50-26(47-5)23(60-71-68-65-39)18(11)59-70-67-64-38;2*1-2/h14-17,27-54,57-63,67-71H,18-24H2,1-13H3,(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83);21-55,57-61H,14-20,56H2,1-13H3,(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73);8-23,26-30,35-39H,6-7H2,1-5H3,(H,31,32)(H,33,34)(H,40,41,42);8-23,26-30,35-39H,6-7H2,1-5H3,(H,31,32)(H,33,34)(H,40,41,42);;/p-32/t27?,28?,29-,30-,31?,32-,33-,34+,35+,36+,37+,38+,39+,40+,41-,42-,43-,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,57+,58+,59-,60+,61-,62+,63-;21?,22?,23-,24-,25?,26-,27-,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49+,50+,51-,52+,53-,54+,55-;8?,9-,10-,11+,12+,13-,14?,15?,16-,17-,18?,19+,20?,21?,22?,23?,26-,27+,28+,29+;8?,9-,10-,11+,12+,13-,14?,15?,16-,17?,18-,19+,20?,21?,22?,23?,26-,27+,28+,29+;;/m0000../s1.
What are the key properties of [(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide?
[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide has a molecular weight of 6537.74 g/mol, XLogP of -42.59, 183 rotatable bonds, 5 hydrogen bond donors, and 221 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-(aminomethyl)-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6R)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-2-(oxidoperoxymethyl)-4,5-bis(oxidoperoxysulfanyloxy)oxan-3-yl]oxyoxan-3-yl]oxy-5-oxidoperoxy-4-oxidoperoxysulfanyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-hydroxy-4,5-dimethoxyoxane-2-carboxylate;[(3R,4S,6R)-3-[(2S,5R,6S)-5-[(2R,5R,6S)-5-[(2S,4S,5R)-5-[(2R,4S,5R)-6-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dimethoxy-5-[(2S,5R,6S)-4-oxidoperoxysulfanyloxy-3-sulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-hydroxy-4,5-dimethoxyoxan-2-yl]methyl sulfate;sulfur monoxide is sourced from PubChem (CID 158499246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).