[(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide

C260H391N3O59Si3 — CID 158593960

IUPAC[(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide
SMILESCC1(OCCC(N)=O)COC(CO[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.CCC1O[C@@H](OC2[C@H](O[C@H]3CCC4(C)C5CC=C6C7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](COCc8ccccc8)[C@H](N)C(C)C7O[C@@H]7OC(C)[C@H](O[C@@H]8OC[C@@H](OCc9ccccc9)C(O[C@@H]9OC[C@]%10(COCc%11ccccc%11)O[C@@H](c%11ccccc%11)OC9%10)C8C)C8OC(C)(C)OC87)[C@H](OC)CC6(C)[C@]5(C)CC[C@H]4C3(C)C=O)OC(C(C)=O)[C@@H](C)[C@@H]2O[C@@H]2OC[C@@H](C)[C@H](C)C2C)C(C)[C@@H](C)[C@H]1C.CCC1O[C@@H](OC2[C@H](O[C@H]3CCC4(C)C5CC=C6C7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](COCc8ccccc8)[C@H](NC(=O)CO[C@@H]8OC(CO[Si](C)(C)C(C)(C)C)C(C)C8C)C(C)C7O[C@@H]7OC(C)[C@H](O[C@@H]8OC[C@@H](OCc9ccccc9)C(O[C@@H]9OC[C@]%10(COCc%11ccccc%11)O[C@@H](c%11ccccc%11)OC9%10)C8C)C8OC(C)(C)OC87)[C@H](OC)CC6(C)[C@]5(C)CC[C@H]4C3(C)C=O)OC(C(C)=O)[C@@H](C)[C@@H]2O[C@@H]2OC[C@@H](C)[C@H](C)C2C)C(C)[C@@H](C)[C@H]1C
InChIInChI=1S/C127H187NO29Si.C112H159NO25.C21H45NO5Si2/c1-29-90-74(5)73(4)77(8)112(143-90)152-106-102(149-110-76(7)72(3)71(2)60-137-110)80(11)100(82(13)130)147-115(106)146-96-53-54-122(22)94(123(96,23)68-129)52-55-124(24)95(122)51-50-88-89-58-120(18,19)56-57-127(89,97(133-26)59-125(88,124)25)118(132)154-114-103(79(10)99(92(145-114)64-134-61-84-42-34-30-35-43-84)128-98(131)67-139-109-78(9)75(6)91(144-109)66-141-158(27,28)119(15,16)17)150-116-107-105(155-121(20,21)156-107)104(83(14)142-116)151-111-81(12)101(93(65-138-111)136-63-86-46-38-32-39-47-86)148-117-108-126(70-140-117,69-135-62-85-44-36-31-37-45-85)157-113(153-108)87-48-40-33-41-49-87;1-22-79-65(5)64(4)67(7)98(125-79)133-93-89(130-96-66(6)63(3)62(2)53-121-96)69(9)87(71(11)115)128-101(93)127-84-46-47-107(17)82(108(84,18)59-114)45-48-109(19)83(107)44-43-77-78-51-105(13,14)49-50-112(78,85(117-21)52-110(77,109)20)104(116)135-100-90(68(8)86(113)80(126-100)57-118-54-73-35-27-23-28-36-73)131-102-94-92(136-106(15,16)137-94)91(72(12)124-102)132-97-70(10)88(81(58-122-97)120-56-75-39-31-25-32-40-75)129-103-95-111(61-123-103,60-119-55-74-37-29-24-30-38-74)138-99(134-95)76-41-33-26-34-42-76;1-19(2,3)28(8,9)26-14-16-18(27-29(10,11)20(4,5)6)21(7,15-24-16)25-13-12-17(22)23/h30-50,68,71-81,83,89-97,99-117H,29,51-67,69-70H2,1-28H3,(H,128,131);23-43,59,62-70,72,78-103H,22,44-58,60-61,113H2,1-21H3;16,18H,12-15H2,1-11H3,(H2,22,23)/t71-,72+,73+,74-,75?,76?,77?,78?,79?,80-,81?,83?,89?,90?,91?,92-,93-,94-,95?,96+,97-,99-,100?,101?,102+,103?,104+,105?,106?,107?,108?,109-,110+,111+,112+,113+,114+,115-,116+,117+,122?,123?,124-,125?,126+,127-;62-,63+,64+,65-,66?,67?,68?,69-,70?,72?,78?,79?,80-,81-,82-,83?,84+,85-,86-,87?,88?,89+,90?,91+,92?,93?,94?,95?,96+,97+,98+,99+,100+,101-,102+,103+,107?,108?,109-,110?,111+,112-;/m11./s1
InChIKeyHUUBUQAGVSYDPJ-DWDVJFCCSA-N
MW4587.21 g/mol
LogP43.40
Rot. Bonds76

About [(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide

[(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide (PubChem CID 158593960) has the molecular formula C260H391N3O59Si3 and a molecular weight of 4587.21 g/mol. Its IUPAC name is [(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide.

Molecular Properties

Compound Name[(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide
PubChem CID158593960
Molecular FormulaC260H391N3O59Si3
Molecular Weight4587.21 g/mol
Exact Mass4583.70
IUPAC Name[(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide
SMILESCC1(OCCC(N)=O)COC(CO[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.CCC1O[C@@H](OC2[C@H](O[C@H]3CCC4(C)C5CC=C6C7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](COCc8ccccc8)[C@H](N)C(C)C7O[C@@H]7OC(C)[C@H](O[C@@H]8OC[C@@H](OCc9ccccc9)C(O[C@@H]9OC[C@]%10(COCc%11ccccc%11)O[C@@H](c%11ccccc%11)OC9%10)C8C)C8OC(C)(C)OC87)[C@H](OC)CC6(C)[C@]5(C)CC[C@H]4C3(C)C=O)OC(C(C)=O)[C@@H](C)[C@@H]2O[C@@H]2OC[C@@H](C)[C@H](C)C2C)C(C)[C@@H](C)[C@H]1C.CCC1O[C@@H](OC2[C@H](O[C@H]3CCC4(C)C5CC=C6C7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](COCc8ccccc8)[C@H](NC(=O)CO[C@@H]8OC(CO[Si](C)(C)C(C)(C)C)C(C)C8C)C(C)C7O[C@@H]7OC(C)[C@H](O[C@@H]8OC[C@@H](OCc9ccccc9)C(O[C@@H]9OC[C@]%10(COCc%11ccccc%11)O[C@@H](c%11ccccc%11)OC9%10)C8C)C8OC(C)(C)OC87)[C@H](OC)CC6(C)[C@]5(C)CC[C@H]4C3(C)C=O)OC(C(C)=O)[C@@H](C)[C@@H]2O[C@@H]2OC[C@@H](C)[C@H](C)C2C)C(C)[C@@H](C)[C@H]1C
InChIInChI=1S/C127H187NO29Si.C112H159NO25.C21H45NO5Si2/c1-29-90-74(5)73(4)77(8)112(143-90)152-106-102(149-110-76(7)72(3)71(2)60-137-110)80(11)100(82(13)130)147-115(106)146-96-53-54-122(22)94(123(96,23)68-129)52-55-124(24)95(122)51-50-88-89-58-120(18,19)56-57-127(89,97(133-26)59-125(88,124)25)118(132)154-114-103(79(10)99(92(145-114)64-134-61-84-42-34-30-35-43-84)128-98(131)67-139-109-78(9)75(6)91(144-109)66-141-158(27,28)119(15,16)17)150-116-107-105(155-121(20,21)156-107)104(83(14)142-116)151-111-81(12)101(93(65-138-111)136-63-86-46-38-32-39-47-86)148-117-108-126(70-140-117,69-135-62-85-44-36-31-37-45-85)157-113(153-108)87-48-40-33-41-49-87;1-22-79-65(5)64(4)67(7)98(125-79)133-93-89(130-96-66(6)63(3)62(2)53-121-96)69(9)87(71(11)115)128-101(93)127-84-46-47-107(17)82(108(84,18)59-114)45-48-109(19)83(107)44-43-77-78-51-105(13,14)49-50-112(78,85(117-21)52-110(77,109)20)104(116)135-100-90(68(8)86(113)80(126-100)57-118-54-73-35-27-23-28-36-73)131-102-94-92(136-106(15,16)137-94)91(72(12)124-102)132-97-70(10)88(81(58-122-97)120-56-75-39-31-25-32-40-75)129-103-95-111(61-123-103,60-119-55-74-37-29-24-30-38-74)138-99(134-95)76-41-33-26-34-42-76;1-19(2,3)28(8,9)26-14-16-18(27-29(10,11)20(4,5)6)21(7,15-24-16)25-13-12-17(22)23/h30-50,68,71-81,83,89-97,99-117H,29,51-67,69-70H2,1-28H3,(H,128,131);23-43,59,62-70,72,78-103H,22,44-58,60-61,113H2,1-21H3;16,18H,12-15H2,1-11H3,(H2,22,23)/t71-,72+,73+,74-,75?,76?,77?,78?,79?,80-,81?,83?,89?,90?,91?,92-,93-,94-,95?,96+,97-,99-,100?,101?,102+,103?,104+,105?,106?,107?,108?,109-,110+,111+,112+,113+,114+,115-,116+,117+,122?,123?,124-,125?,126+,127-;62-,63+,64+,65-,66?,67?,68?,69-,70?,72?,78?,79?,80-,81-,82-,83?,84+,85-,86-,87?,88?,89+,90?,91+,92?,93?,94?,95?,96+,97+,98+,99+,100+,101-,102+,103+,107?,108?,109-,110?,111+,112-;/m11./s1
InChIKeyHUUBUQAGVSYDPJ-DWDVJFCCSA-N
XLogP43.40
TPSA671.36 Ų
H-Bond Donors3
H-Bond Acceptors60
Rotatable Bonds76
Heavy Atoms325
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004587.21
LogP ≤ 543.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1060

Analyze [(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide?
The IUPAC name of [(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide (CID 158593960) is [(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide.
What is the SMILES notation for [(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide?
The canonical SMILES for [(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide is CC1(OCCC(N)=O)COC(CO[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.CCC1O[C@@H](OC2[C@H](O[C@H]3CCC4(C)C5CC=C6C7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](COCc8ccccc8)[C@H](N)C(C)C7O[C@@H]7OC(C)[C@H](O[C@@H]8OC[C@@H](OCc9ccccc9)C(O[C@@H]9OC[C@]%10(COCc%11ccccc%11)O[C@@H](c%11ccccc%11)OC9%10)C8C)C8OC(C)(C)OC87)[C@H](OC)CC6(C)[C@]5(C)CC[C@H]4C3(C)C=O)OC(C(C)=O)[C@@H](C)[C@@H]2O[C@@H]2OC[C@@H](C)[C@H](C)C2C)C(C)[C@@H](C)[C@H]1C.CCC1O[C@@H](OC2[C@H](O[C@H]3CCC4(C)C5CC=C6C7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](COCc8ccccc8)[C@H](NC(=O)CO[C@@H]8OC(CO[Si](C)(C)C(C)(C)C)C(C)C8C)C(C)C7O[C@@H]7OC(C)[C@H](O[C@@H]8OC[C@@H](OCc9ccccc9)C(O[C@@H]9OC[C@]%10(COCc%11ccccc%11)O[C@@H](c%11ccccc%11)OC9%10)C8C)C8OC(C)(C)OC87)[C@H](OC)CC6(C)[C@]5(C)CC[C@H]4C3(C)C=O)OC(C(C)=O)[C@@H](C)[C@@H]2O[C@@H]2OC[C@@H](C)[C@H](C)C2C)C(C)[C@@H](C)[C@H]1C.
What is the InChIKey of [(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide?
The InChIKey is HUUBUQAGVSYDPJ-DWDVJFCCSA-N. The full InChI is InChI=1S/C127H187NO29Si.C112H159NO25.C21H45NO5Si2/c1-29-90-74(5)73(4)77(8)112(143-90)152-106-102(149-110-76(7)72(3)71(2)60-137-110)80(11)100(82(13)130)147-115(106)146-96-53-54-122(22)94(123(96,23)68-129)52-55-124(24)95(122)51-50-88-89-58-120(18,19)56-57-127(89,97(133-26)59-125(88,124)25)118(132)154-114-103(79(10)99(92(145-114)64-134-61-84-42-34-30-35-43-84)128-98(131)67-139-109-78(9)75(6)91(144-109)66-141-158(27,28)119(15,16)17)150-116-107-105(155-121(20,21)156-107)104(83(14)142-116)151-111-81(12)101(93(65-138-111)136-63-86-46-38-32-39-47-86)148-117-108-126(70-140-117,69-135-62-85-44-36-31-37-45-85)157-113(153-108)87-48-40-33-41-49-87;1-22-79-65(5)64(4)67(7)98(125-79)133-93-89(130-96-66(6)63(3)62(2)53-121-96)69(9)87(71(11)115)128-101(93)127-84-46-47-107(17)82(108(84,18)59-114)45-48-109(19)83(107)44-43-77-78-51-105(13,14)49-50-112(78,85(117-21)52-110(77,109)20)104(116)135-100-90(68(8)86(113)80(126-100)57-118-54-73-35-27-23-28-36-73)131-102-94-92(136-106(15,16)137-94)91(72(12)124-102)132-97-70(10)88(81(58-122-97)120-56-75-39-31-25-32-40-75)129-103-95-111(61-123-103,60-119-55-74-37-29-24-30-38-74)138-99(134-95)76-41-33-26-34-42-76;1-19(2,3)28(8,9)26-14-16-18(27-29(10,11)20(4,5)6)21(7,15-24-16)25-13-12-17(22)23/h30-50,68,71-81,83,89-97,99-117H,29,51-67,69-70H2,1-28H3,(H,128,131);23-43,59,62-70,72,78-103H,22,44-58,60-61,113H2,1-21H3;16,18H,12-15H2,1-11H3,(H2,22,23)/t71-,72+,73+,74-,75?,76?,77?,78?,79?,80-,81?,83?,89?,90?,91?,92-,93-,94-,95?,96+,97-,99-,100?,101?,102+,103?,104+,105?,106?,107?,108?,109-,110+,111+,112+,113+,114+,115-,116+,117+,122?,123?,124-,125?,126+,127-;62-,63+,64+,65-,66?,67?,68?,69-,70?,72?,78?,79?,80-,81-,82-,83?,84+,85-,86-,87?,88?,89+,90?,91+,92?,93?,94?,95?,96+,97+,98+,99+,100+,101-,102+,103+,107?,108?,109-,110?,111+,112-;/m11./s1.
What are the key properties of [(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide?
[(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide has a molecular weight of 4587.21 g/mol, XLogP of 43.40, 76 rotatable bonds, 3 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R,6S)-5-amino-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R,6S)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-[[2-[(2R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-yl]oxyacetyl]amino]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (4aR,5R,6bR,8aR,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;3-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-3-yl]oxypropanamide is sourced from PubChem (CID 158593960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).