[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3S)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylidenetetradecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate; californium

Systemtic Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3S)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylidenetetradecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate; californium Openeye Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(2-oxotetradecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate; californium CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(2-oxotetradecylthio)ethylamino]propyl]amino]butyl] hydrogen phosphate; californium IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(2-oxotetradecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate; californium Traditional Name: [[(2R,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3S)-3-hydroxy-4-keto-4-[[3-keto-3-[2-(2-ketotetradecylthio)ethylamino]propyl]amino]-2,2-dimethyl-butyl] hydrogen phosphate; californium Formula: C35H62CfN7O17P3S MolecularWeight: 1228.969343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O.[Cf]

Isomeric SMILES

CCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O.[Cf]

InChI

InChI=1S/C35H62N7O17P3S.Cf/c1-4-5-6-7-8-9-10-11-12-13-14-24(43)20-63-18-17-37-26(44)15-16-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-19-25-29(58-60(48,49)50)28(45)34(57-25)42-23-41-27-31(36)39-22-40-32(27)42;/h22-23,25,28-30,34,45-46H,4-21H2,1-3H3,(H,37,44)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50);/t25-,28-,29-,30-,34-;/m1./s1