Basic information
- CAS
131206-83-2- Standard SMILES
CCC(C)C(N)C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1C(=O)O- InChIKey
UGBUVVBCVYWCSO-JDNUQWHUSA-N- Molecular formula
- C16H23N7O5
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.17606686
Names & identifiers
- Preferred name
- 3-(2-Amino-3-methylpentanoylamino)-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid
- IUPAC
- (2S,3S,4R,5R)-3-[(2-amino-3-methylpentanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid
Names & synonyms
3-(2-Amino-3-methylpentanoylamino)-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid(2S,3S,4R,5R)-3-[(2-amino-3-methylpentanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acidDTXSID20927124(2S,3S,4R,5R)-3-[(2-amino-3-methyl-pentanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid9-{3-[(2-Amino-1-hydroxy-3-methylpentylidene)amino]-3-deoxy-beta-D-ribofuranuronosyl}-9H-purin-6-amine9-{3-[(2-Amino-1-hydroxy-3-methylpentylidene)amino]-3-deoxypentofuranuronosyl}-9H-purin-6-amine
Database identifiers
- CAS
131206-83-2- PubChem CID
- 456563
- DTXSID
DTXSID20927124
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…