1,3-Oxathiolane-2-methanol, 5-(6-amino-9H-purin-9-yl)-, (2R-cis)-
Basic information
- CAS
145913-75-3- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1CS[C@H](CO)O1- InChIKey
GOIOKJULSNLSBB-NTSWFWBYSA-N- Molecular formula
- C9H11N5O2S
- Average molar mass
- 253.28 g/mol
- Monoisotopic mass
- 253.06334578
Names & identifiers
- Preferred name
- 1,3-Oxathiolane-2-methanol, 5-(6-amino-9H-purin-9-yl)-, (2R-cis)-
- IUPAC
- [(2R,5S)-5-(6-aminopurin-9-yl)-1,3-oxathiolan-2-yl]methanol
Names & synonyms
Oxathiolan A-beta1,3-Oxathiolane-2-methanol, 5-(6-amino-9H-purin-9-yl)-, (2R-cis)-145913-75-3(+)-(2R,5S)-9-(2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)adenineOxathiolan A-.b.(+)-(2R,5S)-9-[2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]adenineCHEMBL278444DTXSID00163205[(2R,5S)-5-(6-aminopurin-9-yl)-1,3-oxathiolan-2-yl]methanol[(2R,5S)-5-(6-Amino-9H-purin-9-yl)-1,3-oxathiolan-2-yl]methanol
Database identifiers
- CAS
145913-75-3- PubChem CID
- 454528
- DTXSID
DTXSID00163205- ChEMBL
CHEMBL278444- Nikkaji
- J528.687E
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
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Compound notes
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