Basic information
- CAS
35788-21-7- Standard SMILES
NC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O- InChIKey
BLMHAOGGJQDPLX-LKCKTBJASA-N- Molecular formula
- C10H12N6O4
- Average molar mass
- 280.24 g/mol
- Monoisotopic mass
- 280.09200289
Overview
structure
Names & identifiers
- Preferred name
- 1-(6-Amino-9H-purin-9-yl)-1-deoxy-beta-D-ribofuranuronamide
- IUPAC
- (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
Names & synonyms
Adenosine 5'-carboxamide35788-21-7DTXSID401202089Adenosine 5'-carboxylic acid amidebeta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-RefChem:907417ADN 5'-CXAAMDTXCID5016335221-(6-Amino-9H-purin-9-yl)-1-deoxy-beta-D-ribofuranuronamideCHEMBL4778617(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamideNSC 144697
Show more names
BRN 0627741beta-D-1-(6-Amino-9H-purin-9-yl)-1-deoxyribofuranuronamideSCHEMBL13889874BDBM50552889PDSP1_001001PDSP2_000985Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-, beta-D-(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
Database identifiers
- CAS
35788-21-7- PubChem CID
- 97692
- DTXSID
DTXSID401202089- ChEMBL
CHEMBL4778617- Nikkaji
- J48.293E
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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