Basic information
- CAS
53130-86-2- Standard SMILES
CC(=O)OCc1nc2ncnc(N)c2[nH]1- InChIKey
ULXCKGMHUKQDJL-UHFFFAOYSA-N- Molecular formula
- C8H9N5O2
- Average molar mass
- 207.19 g/mol
- Monoisotopic mass
- 207.07562455
Names & identifiers
- Preferred name
- (6-Amino-9H-purin-8-yl)methyl acetate
- IUPAC
- (6-amino-7H-purin-8-yl)methyl acetate
- English name
- 1H-Purine-8-methanol, 6-amino-, acetate (ester)
- Molecular formula
- C8H9N5O2
- Molecular weight
- 207.19
Names & synonyms
(6-Amino-9H-purin-8-yl)methyl acetate53130-86-2V6KWW0M256UNII-V6KWW0M256NSC 335604NSC-335604DTXSID402012161H-Purine-8-methanol, 6-amino-, acetate (ester)9H-PURINE-8-METHANOL, 6-AMINO-, 8-ACETATERefChem:69672DTXCID40123707NSC335604
Show more names
(6-amino-7H-purin-8-yl)methyl acetate1H-Purine-8-methanol, acetate (ester)
Database identifiers
- CAS
53130-86-2- PubChem CID
- 494243
- DTXSID
DTXSID40201216- UNII
- V6KWW0M256
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- FDA UNII
- 6 KWW0M256 · V6KWW0M256
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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