beta-D-Ribofuranurononitrile, 1-(6-amino-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-
Basic information
- CAS
54918-23-9- Standard SMILES
CC1(C)O[C@@H]2[C@H](O1)[C@@H](C#N)O[C@H]2n1cnc2c(N)ncnc21- InChIKey
JVGCNJIUIZZKAC-WOUKDFQISA-N- Molecular formula
- C13H14N6O3
- Average molar mass
- 302.29 g/mol
- Monoisotopic mass
- 302.11273833
Names & identifiers
- Preferred name
- beta-D-Ribofuranurononitrile, 1-(6-amino-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-
- IUPAC
- (3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbonitrile
Names & synonyms
beta-D-Ribofuranurononitrile, 1-(6-amino-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-54918-23-9DTXSID402034321-(6-Amino-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-beta-D-ribofuranurononitrile(3aR,4R,6R,6aR)-6-(6-Amino-9H-purin-9-yl)-2,2-dimethyltetrahydro-2H-furo[3,4-d][1,3]dioxole-4-carbonitrile
Database identifiers
- CAS
54918-23-9- PubChem CID
- 3036587
- DTXSID
DTXSID40203432- Nikkaji
- J3.789.607A
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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