Basic information
- Standard SMILES
CC1OC(n2cnc3c(N)ncnc32)C(O)C1O- InChIKey
XGYIMTFOTBMPFP-SQQSDITASA-N- Molecular formula
- C10H13N5O3
- Average molar mass
- 251.24 g/mol
Overview
See also: 5'-Deoxyadenosine (annotation moved to).
Names & identifiers
- Preferred name
- 9-(5-Deoxypentofuranosyl)-9H-purin-6-amine
- IUPAC
- 2-(6-aminopurin-9-yl)-5-methyloxolane-3,4-diol
- English name
- 6-Amino-9-(5-deoxy-α-D-xylofuranosyl)-9H-purine
- Molecular formula
- C10H13N5O3
- Molecular weight
- 251.25
Names & synonyms
RefChem:1074908DTXCID40812068DTXSID308634489-(5-deoxypentofuranosyl)-9H-purin-6-amine72-90-25'-dAdo9H-Purin-6-amine, 9-(5-deoxy-.alpha.-D-xylofuranosyl)-5\'-deoxyadenosineCompound NP-015368orb3171732SCHEMBL124535811H-Purin-6-amine,9-(5-deoxy-b-D-xylofuranosyl)- (9CI)
Show more names
6-Amino-9-(5-deoxy-α-D-xylofuranosyl)-9H-purine9H-Purin-6-amine, 9-(5-deoxy-α-D-xylofuranosyl)-
NSC86102NSC89222BDBM50031233NSC-86102NSC-89222NSC102642PDSP1_001034PDSP2_001018
Database identifiers
- CAS
4152-76-5、55670-08-1、72-90-2- PubChem CID
- 142
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 595 · 595.0±60.0 °C(Predicted)
- Density
- 1.93 · 1.93±0.1 g/cm3(Predicted)
- pka
- 13.29 · 13.29±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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