Basic information
- CAS
129970-97-4- Standard SMILES
Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1- InChIKey
BRSNNJIJEZWSBU-XNIJJKJLSA-N- Molecular formula
- C17H18N6O6S
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 434.10085349
Overview
inhibitor of nucleoside transport
Names & identifiers
- Preferred name
- 6-(4-Nitrobenzylthio)guanosine
- IUPAC
- (2R,3R,4S,5R)-2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
NBTGR13153-27-06-(4-Nitrobenzylthio)guanosine6-(p-Nitrobenzylthio)guanosineDTXSID601017107G25563DF3WNSC-498132-Amino-6-((4-nitrobenzyl)thio)-9-beta-D-ribofuranosylpurine6-S-[(4-Nitrophenyl)methyl]-6-thioguanosine6-(((4-Nitrophenyl)methyl)thio)-9-beta-D-ribofuranosyl-9H-purin-2-amine6-S-((4-Nitrophenyl)methyl)-6-thioguanosineRefChem:913781
Show more names
DTXCID0013553592-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-1-(((2-nitrophenyl)methyl)sulfanyl)-6,9-dihydro-1H-purin-6-ones-(p-nitrobenzyl)-6-thioguanosineGuanosine, 6-S-[(4-nitrophenyl)methyl]-6-thio-CHEMBL394171p-NBTGR(2R,3R,4S,5R)-2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol7-Nbtgf
Database identifiers
- CAS
129970-97-4、13153-27-0- PubChem CID
- 96048
- DTXSID
DTXSID601017107- ChEMBL
CHEMBL394171- UNII
- G25563DF3W
- Nikkaji
- J417.855F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 608
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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