2'-Deoxyoxanosine
Basic information
- CAS
88899-00-7- Standard SMILES
Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)o1- InChIKey
QCYSYEMPACIOOP-JKUQZMGJSA-N- Molecular formula
- C10H12N4O5
- Average molar mass
- 268.23 g/mol
- Monoisotopic mass
- 268.0807695
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2'-Deoxyoxanosine
- IUPAC
- 5-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[4,5-d][1,3]oxazin-7-one
- English name
- 2'-deoxyoxanosine
- Molecular formula
- C10H12N4O5
- Molecular weight
- 268.23
Names & synonyms
88899-00-7Imidazo(4,5-d)(1,3)oxazin-7(3H)-one, 5-amino-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-RefChem:803062'-Deoxyoxanosine5-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[4,5-d][1,3]oxazin-7-oneDTXSID4010085603-(2-Deoxypentofuranosyl)-5-imino-4,5-dihydroimidazo[4,5-d][1,3]oxazin-7(3H)-one3-(2-Deoxy-alpha-D-erythro-pentofuranosyl)-5-imino-4,5-dihydroimidazo[4,5-d][1,3]oxazin-7(3H)-oneImidazo[4,5-d][1,3]oxazin-7(3H)-one, 5-amino-3-(2-deoxy-β-D-erythro-pentofuranosyl)-
Database identifiers
- CAS
88899-00-7- PubChem CID
- 128909
- DTXSID
DTXSID401008560
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Boiling point
- 707.2 · 707.2±70.0 °C(Predicted)
- Density
- 2.06 · 2.06±0.1 g/cm3(Predicted)
- pka
- 13.83 · 13.83±0.60(Predicted)
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Related reactions
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Compound notes
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