5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane

C202H369N36O92PS — CID 158752627

IUPAC5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane
SMILESCC1OC(OC2C(CN=[N+]=[N-])OC(OC3C(O)C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)C2O)C(NC(=O)OC(C)(C)C)C(O)C1O.CC1OC(OC2C(CO)OC(OC3C(O)C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)C2O)C(NC(=O)OC(C)(C)C)C(O)C1O.CNCC1OC(OC2C(NC)CC(NC)C(OC)C2OC2OC(CN=[N+]=[N-])C(OC3OC(CCN)C(CO)C(CO)C3NC)C2OC)C(NC)C(CO)C1CO.O=S=P.[3H]CC1OC(OC2C(O)C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C2OC2OC(CNC(=O)OC(C)(C)C)C(O)C(O)C2NC(=O)OC(C)(C)C)C(O)C1OC1OC(C)C(O)C(O)C1NC(=O)OC(C)(C)C.[N-]=[N+]=NCC1OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CN)C(O)C(O)C1N
InChIInChI=1S/C48H84N8O22.C48H85N5O23.C48H85N5O22.C35H69N9O12.C23H45N9O12.HOPS/c1-20-27(57)30(60)25(54-42(66)77-47(11,12)13)36(68-20)72-34-24(19-51-56-49)70-38(32(34)62)73-35-28(58)21(52-40(64)75-45(5,6)7)17-22(53-41(65)76-46(8,9)10)33(35)71-37-26(55-43(67)78-48(14,15)16)31(61)29(59)23(69-37)18-50-39(63)74-44(2,3)4;1-20-27(55)30(58)25(52-42(64)75-47(11,12)13)36(66-20)70-34-24(19-54)68-38(32(34)60)71-35-28(56)21(50-40(62)73-45(5,6)7)17-22(51-41(63)74-46(8,9)10)33(35)69-37-26(53-43(65)76-48(14,15)16)31(59)29(57)23(67-37)18-49-39(61)72-44(2,3)4;1-20-27(54)30(57)25(52-42(63)74-47(12,13)14)36(65-20)68-33-21(2)66-38(32(33)59)70-35-28(55)22(50-40(61)72-45(6,7)8)18-23(51-41(62)73-46(9,10)11)34(35)69-37-26(53-43(64)75-48(15,16)17)31(58)29(56)24(67-37)19-49-39(60)71-44(3,4)5;1-38-11-24-18(14-46)20(16-48)27(42-5)34(52-24)54-29-22(40-3)10-21(39-2)28(49-6)31(29)56-35-32(50-7)30(25(53-35)12-43-44-37)55-33-26(41-4)19(15-47)17(13-45)23(51-33)8-9-36;24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22;1-3-2/h20-38,57-62H,17-19H2,1-16H3,(H,50,63)(H,52,64)(H,53,65)(H,54,66)(H,55,67);20-38,54-60H,17-19H2,1-16H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,65);20-38,54-59H,18-19H2,1-17H3,(H,49,60)(H,50,61)(H,51,62)(H,52,63)(H,53,64);17-35,38-42,45-48H,8-16,36H2,1-7H3;5-23,33-38H,1-4,24-29H2;2H/i;;2T;;;
InChIKeyINRCTXNPMFRLGF-NCMFILLBSA-N
MW4839.38 g/mol
LogP-8.57
Rot. Bonds72

About 5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane

5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane (PubChem CID 158752627) has the molecular formula C202H369N36O92PS and a molecular weight of 4839.38 g/mol. Its IUPAC name is 5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane.

Molecular Properties

Compound Name5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane
PubChem CID158752627
Molecular FormulaC202H369N36O92PS
Molecular Weight4839.38 g/mol
Exact Mass4836.48
IUPAC Name5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane
SMILESCC1OC(OC2C(CN=[N+]=[N-])OC(OC3C(O)C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)C2O)C(NC(=O)OC(C)(C)C)C(O)C1O.CC1OC(OC2C(CO)OC(OC3C(O)C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)C2O)C(NC(=O)OC(C)(C)C)C(O)C1O.CNCC1OC(OC2C(NC)CC(NC)C(OC)C2OC2OC(CN=[N+]=[N-])C(OC3OC(CCN)C(CO)C(CO)C3NC)C2OC)C(NC)C(CO)C1CO.O=S=P.[3H]CC1OC(OC2C(O)C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C2OC2OC(CNC(=O)OC(C)(C)C)C(O)C(O)C2NC(=O)OC(C)(C)C)C(O)C1OC1OC(C)C(O)C(O)C1NC(=O)OC(C)(C)C.[N-]=[N+]=NCC1OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CN)C(O)C(O)C1N
InChIInChI=1S/C48H84N8O22.C48H85N5O23.C48H85N5O22.C35H69N9O12.C23H45N9O12.HOPS/c1-20-27(57)30(60)25(54-42(66)77-47(11,12)13)36(68-20)72-34-24(19-51-56-49)70-38(32(34)62)73-35-28(58)21(52-40(64)75-45(5,6)7)17-22(53-41(65)76-46(8,9)10)33(35)71-37-26(55-43(67)78-48(14,15)16)31(61)29(59)23(69-37)18-50-39(63)74-44(2,3)4;1-20-27(55)30(58)25(52-42(64)75-47(11,12)13)36(66-20)70-34-24(19-54)68-38(32(34)60)71-35-28(56)21(50-40(62)73-45(5,6)7)17-22(51-41(63)74-46(8,9)10)33(35)69-37-26(53-43(65)76-48(14,15)16)31(59)29(57)23(67-37)18-49-39(61)72-44(2,3)4;1-20-27(54)30(57)25(52-42(63)74-47(12,13)14)36(65-20)68-33-21(2)66-38(32(33)59)70-35-28(55)22(50-40(61)72-45(6,7)8)18-23(51-41(62)73-46(9,10)11)34(35)69-37-26(53-43(64)75-48(15,16)17)31(58)29(56)24(67-37)19-49-39(60)71-44(3,4)5;1-38-11-24-18(14-46)20(16-48)27(42-5)34(52-24)54-29-22(40-3)10-21(39-2)28(49-6)31(29)56-35-32(50-7)30(25(53-35)12-43-44-37)55-33-26(41-4)19(15-47)17(13-45)23(51-33)8-9-36;24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22;1-3-2/h20-38,57-62H,17-19H2,1-16H3,(H,50,63)(H,52,64)(H,53,65)(H,54,66)(H,55,67);20-38,54-60H,17-19H2,1-16H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,65);20-38,54-59H,18-19H2,1-17H3,(H,49,60)(H,50,61)(H,51,62)(H,52,63)(H,53,64);17-35,38-42,45-48H,8-16,36H2,1-7H3;5-23,33-38H,1-4,24-29H2;2H/i;;2T;;;
InChIKeyINRCTXNPMFRLGF-NCMFILLBSA-N
XLogP-8.57
TPSA1862.62 Ų
H-Bond Donors56
H-Bond Acceptors107
Rotatable Bonds72
Heavy Atoms332
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004839.38
LogP ≤ 5-8.57
H-Bond Donors ≤ 556
H-Bond Acceptors ≤ 10107

Analyze 5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane with MolForge

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Related Compounds

(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-methyloxane-3,4-diol
CID 102146448
(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-methyloxane-3,4-diol
CID 102146460
2-[3-[6-(2-aminoethyl)-4,5-bis(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-5-[2-[6-(azidomethyl)-4-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-2-yl]ethanol
CID 58372983
N-[[(3S,5S,6R)-5-amino-6-[(2R,4S,5S)-5-[(2R,5R,6R)-3,5-diamino-2-[(2R,4R,5S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl]acetamide
CID 90362349
tert-butyl N-[(1R,3R)-3-[(2S,4R,5R)-5-(azidomethyl)-4-[(2R,6S)-6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-4-[(2S,4R)-6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl]oxy-2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 58160591
benzyl N-[(2R,3R,4R,5S,6S)-2-[(2R,3S,4R,5S)-2-(azidomethyl)-5-[(1R,2R,3S,5R,6S)-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-6-hydroxy-3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-(phenylmethoxycarbonylaminomethyl)oxan-3-yl]carbamate
CID 25158690
tert-butyl N-[(2R,4R,5S)-6-(aminomethyl)-2-[(1R,2R,4R)-2,3-dihydroxy-4,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4,5-dihydroxyoxan-3-yl]carbamate
CID 140529248
(3S,4R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,4R)-4,6-diamino-2-[(2S,4R,5R)-4-[(2S,5R,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 90361295
2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate
CID 159050244
tert-butyl N-[6-(aminomethyl)-4,5-dihydroxy-2-[4-hydroxy-5-[2-hydroxy-6-[[6-[(2-hydroxypentylamino)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl]oxy]-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxan-3-yl]carbamate
CID 91594607
(2R,3R,4R,5R,6S)-5-amino-2-(aminomethyl)-6-[(1S,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2S,3R,4R,5R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 124762242
(2R,3R,4R,5S,6S)-5-amino-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-2-[(2R,3R,4S,5S)-4-[(2R,3R,4S,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 124858522

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane?
The IUPAC name of 5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane (CID 158752627) is 5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane.
What is the SMILES notation for 5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane?
The canonical SMILES for 5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane is CC1OC(OC2C(CN=[N+]=[N-])OC(OC3C(O)C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)C2O)C(NC(=O)OC(C)(C)C)C(O)C1O.CC1OC(OC2C(CO)OC(OC3C(O)C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)C2O)C(NC(=O)OC(C)(C)C)C(O)C1O.CNCC1OC(OC2C(NC)CC(NC)C(OC)C2OC2OC(CN=[N+]=[N-])C(OC3OC(CCN)C(CO)C(CO)C3NC)C2OC)C(NC)C(CO)C1CO.O=S=P.[3H]CC1OC(OC2C(O)C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C2OC2OC(CNC(=O)OC(C)(C)C)C(O)C(O)C2NC(=O)OC(C)(C)C)C(O)C1OC1OC(C)C(O)C(O)C1NC(=O)OC(C)(C)C.[N-]=[N+]=NCC1OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CN)C(O)C(O)C1N.
What is the InChIKey of 5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane?
The InChIKey is INRCTXNPMFRLGF-NCMFILLBSA-N. The full InChI is InChI=1S/C48H84N8O22.C48H85N5O23.C48H85N5O22.C35H69N9O12.C23H45N9O12.HOPS/c1-20-27(57)30(60)25(54-42(66)77-47(11,12)13)36(68-20)72-34-24(19-51-56-49)70-38(32(34)62)73-35-28(58)21(52-40(64)75-45(5,6)7)17-22(53-41(65)76-46(8,9)10)33(35)71-37-26(55-43(67)78-48(14,15)16)31(61)29(59)23(69-37)18-50-39(63)74-44(2,3)4;1-20-27(55)30(58)25(52-42(64)75-47(11,12)13)36(66-20)70-34-24(19-54)68-38(32(34)60)71-35-28(56)21(50-40(62)73-45(5,6)7)17-22(51-41(63)74-46(8,9)10)33(35)69-37-26(53-43(65)76-48(14,15)16)31(59)29(57)23(67-37)18-49-39(61)72-44(2,3)4;1-20-27(54)30(57)25(52-42(63)74-47(12,13)14)36(65-20)68-33-21(2)66-38(32(33)59)70-35-28(55)22(50-40(61)72-45(6,7)8)18-23(51-41(62)73-46(9,10)11)34(35)69-37-26(53-43(64)75-48(15,16)17)31(58)29(56)24(67-37)19-49-39(60)71-44(3,4)5;1-38-11-24-18(14-46)20(16-48)27(42-5)34(52-24)54-29-22(40-3)10-21(39-2)28(49-6)31(29)56-35-32(50-7)30(25(53-35)12-43-44-37)55-33-26(41-4)19(15-47)17(13-45)23(51-33)8-9-36;24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22;1-3-2/h20-38,57-62H,17-19H2,1-16H3,(H,50,63)(H,52,64)(H,53,65)(H,54,66)(H,55,67);20-38,54-60H,17-19H2,1-16H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,65);20-38,54-59H,18-19H2,1-17H3,(H,49,60)(H,50,61)(H,51,62)(H,52,63)(H,53,64);17-35,38-42,45-48H,8-16,36H2,1-7H3;5-23,33-38H,1-4,24-29H2;2H/i;;2T;;;.
What are the key properties of 5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane?
5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane has a molecular weight of 4839.38 g/mol, XLogP of -8.57, 72 rotatable bonds, 56 hydrogen bond donors, and 107 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane is sourced from PubChem (CID 158752627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).