Nitrobenzylthioinosine 5'-monophosphate

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

Also Known As: Nbmpr-P|Nitrobenzylthioinosine 5'-monophosphate|Nitrobenzylthioinosine 5 -phosphate|nitrobenzylthioinosine5'-monophosphate|Benzenamine,3-chloro-4-methoxy-2-methyl|6-S-((4-Nitrophenyl)methyl)-6-thio-5'-inosinic acid|6-Deamino-6-(4-nitrobenzylthio)-5 -adenylic acid|5'-Inosinic acid, 6-S-((4-nitrophenyl)methyl)-6-thio-|5'-Inosinic acid, 6-S-[(4-nitrophenyl)methyl]-6-thio-|6-[(4-nitrobenzyl)sulfanyl]-9-(5-o-phosphono-|A-d-ribofuranosyl)-9h-purine|9H-Purine, 6-(((4-nitrophenyl)methyl)thio)-9-(5-O-phosphono-beta-D-ribofuranosyl)-|((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-((4-nitrobenzyl)thio)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate|{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-{[(4-nitrophenyl)methyl]sulfanyl}-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid|1-Deoxy-1-[6-[(4-nitrobenzyl)thio]-9H-purin-9-yl]-beta-D-ribofuranose 5-phosphoric acid|6-{[(4-Nitrophenyl)methyl]sulfanyl}-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine|6-{[(4-Nitrophenyl)methyl]sulfanyl}-9-(5-O-phosphonopentofuranosyl)-9H-purine|[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

Molecular Formula	C17H18N5O9PS
Molecular Weight	499.05627 g/mol
LogP	0.76
Topological Polar Surface Area	203.19 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	499.05627
Heavy Atoms	33
Complexity	1203.3

Chemical Identifiers

CAS Number	65199-10-2
SMILES	C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)[N+](=O)[O-]