[(2R,5S)-5-[6-(methylamino)purin-7-yl]-1,3-oxathiolan-2-yl]methanol
Basic information
- CAS
145913-76-4- Standard SMILES
CNc1ncnc2ncn([C@@H]3CS[C@H](CO)O3)c12- InChIKey
JZWKOFQHPPYKSI-NKWVEPMBSA-N- Molecular formula
- C10H13N5O2S
- Average molar mass
- 267.31 g/mol
- Monoisotopic mass
- 267.07899585
Names & identifiers
- Preferred name
- [(2R,5S)-5-[6-(methylamino)purin-7-yl]-1,3-oxathiolan-2-yl]methanol
- IUPAC
- [(2R,5S)-5-[6-(methylamino)purin-7-yl]-1,3-oxathiolan-2-yl]methanol
Names & synonyms
Oxathiolan N6-MeA-beta145913-76-4(+)-(2R,5S)-N6-Methyl-9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)adenine1,3-Oxathiolane-2-methanol, 5-(6-(methylamino)-9H-purin-9-yl)-, (2R-cis)-(+)-(2R,5S)-N6-Methyl-9-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]adenine1,3-Oxathiolane-2-methanol, 5-[6-(methylamino)-9H-purin-9-yl]-, (2R-cis)-Oxathiolan N6-MeA-.b.[(2R,5S)-5-[6-(methylamino)purin-7-yl]-1,3-oxathiolan-2-yl]methanolDTXSID00932716{5-[6-(Methylamino)-7H-purin-7-yl]-1,3-oxathiolan-2-yl}methanol{(2R,5S)-5-[6-(Methylamino)-7H-purin-7-yl]-1,3-oxathiolan-2-yl}methanol
Database identifiers
- CAS
145913-76-4- PubChem CID
- 454529
- DTXSID
DTXSID00932716
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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