Basic information
- CAS
125073-28-1- Standard SMILES
Nc1nc(Cl)c2nnn([C@@H]3C[C@H](CO)[C@H](O)[C@@H]3O)c2n1- InChIKey
OGDHXDCHRQQLSX-ZCBVHYEASA-N- Molecular formula
- C10H13ClN6O3
- Average molar mass
- 300.7 g/mol
- Monoisotopic mass
- 300.073766
Names & identifiers
- Preferred name
- 1,2-Cyclopentanediol, 3-(5-amino-7-chloro-3H-1,2,3-triazolo(4,5-d)pyrimidin-3-yl)-5-(hydroxymethyl)-, (1alpha,2alpha,3alpha,5alpha)-, (+-)-
- IUPAC
- (1S,2R,3R,5R)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Names & synonyms
125073-28-1(8aza-2-NH2-6-Cl-9(diOH-4-OHCH2CyPent)P1,2-Cyclopentanediol, 3-(5-amino-7-chloro-3H-1,2,3-triazolo(4,5-d)pyrimidin-3-yl)-5-(hydroxymethyl)-, (1alpha,2alpha,3alpha,5alpha)-, (+-)-DTXSID10154629(1S,2R,3R,5R)-3-(5-Amino-7-chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol(1S,2R,3R,5R)-3-(5-amino-7-chloro-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol1,2-Cyclopentanediol, 3-(5-amino-7-chloro-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)-, (1.alpha.,2.alpha.,3.alpha.,5.alpha.)-, (+/-)-
Database identifiers
- CAS
125073-28-1- PubChem CID
- 452173
- DTXSID
DTXSID10154629
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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