Basic information
- CAS
58048-16-1- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H]1O- InChIKey
CPOJGSHCVPOTHR-XAWDNZOJSA-N- Molecular formula
- C20H26N6O4
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.20155333
Names & identifiers
- Preferred name
- beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-tricyclo(3.3.1.1(sup 3,7)dec-1-yl)-
- IUPAC
- (2S,3S,4R,5R)-N-(1-adamantyl)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
Names & synonyms
beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-tricyclo(3.3.1.1(sup 3,7)dec-1-yl)-58048-16-1DTXSID60206768N-(1-Adamantyl)-1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-D-ribofuranuronamide1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-tricyclo(3.3.1.1(3,7))dec-1-yl-beta-D-ribofuranuronamideRefChem:329037DTXCID90129259(2S,3S,4R,5R)-N-(Adamantan-1-yl)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
Database identifiers
- CAS
58048-16-1- PubChem CID
- 64394
- DTXSID
DTXSID60206768
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 667
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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