Basic information
- CAS
57872-81-8- Standard SMILES
CCOC(=O)CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O- InChIKey
VZUNMSKYLUGGPY-AEISUSGSSA-N- Molecular formula
- C14H18N6O6
- Average molar mass
- 366.33 g/mol
- Monoisotopic mass
- 366.12878232
Names & identifiers
- Preferred name
- beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(2-ethoxy-2-oxoethyl)-, monohydrate
- IUPAC
- ethyl 2-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]amino]acetate
Names & synonyms
beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(2-ethoxy-2-oxoethyl)-, monohydrate1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-((ethoxycarbonyl)methyl)-beta-D-ribofuranuronamide hydrate57872-81-8DTXSID60206586RefChem:329035DTXCID90129077Ethyl [(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolane-2-carboxamido]acetate
Database identifiers
- CAS
57872-81-8- PubChem CID
- 3044934
- DTXSID
DTXSID60206586
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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