Basic information
- CAS
113296-23-4- Standard SMILES
Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H]3CO)c2n1- InChIKey
LHGZHHAMKUXUME-UDJQAZALSA-N- Molecular formula
- C10H14N6O3
- Average molar mass
- 266.26 g/mol
- Monoisotopic mass
- 266.11273831
Overview
prodrug of oxetanocin G
Names & identifiers
- Preferred name
- 2-Aminooxetanocin A
- IUPAC
- [(2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol
- English name
- 2-aminooxetanocin A
- Molecular formula
- C10H14N6O3
- Molecular weight
- 266.26
Names & synonyms
2-Aminooxetanocin A2-Amino-oxt-A113296-23-4RefChem:85399[(2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol132077-74-82-Amino-9-(2-deoxy-2-hydroxymethyl-beta-D-erythro-oxetanosyl)adenosine2,3-Oxetanedimethanol, 4-(6-amino-9H-purin-9-yl)-, (2alpha,3beta,4alpha)-2-Amino-9-(2-deoxy-2-hydroxymethyl-beta-D-erythro-oxetanosyl)adenosineCHEMBL5430950SCHEMBL29759464DTXSID50921034LHGZHHAMKUXUME-UDJQAZALSA-N
Show more names
2,3-Oxetanedimethanol, 4-(2,6-diamino-9H-purin-9-yl)-, (2S,3R,4R)-9-[(2R)-3α,4β-Di(hydroxymethyl)oxetan-2β-yl]-2,6-diamino-9H-purine
4-(2,6-Diamino-9H-purin-9-yl)-2,3-oxetanedimethanol (2S-(2alpha,3beta,4alpha))-2-Amino-9-(2-deoxy-2-hydroxymethyl-.beta.-D-erythro-oxetanosyl)adenosine[(2S,3R,4R)-4-(6-Amino-2-imino-1,2-dihydro-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol[4-(6-Amino-2-imino-1,2-dihydro-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol2,3-Oxetanedimethanol, 4-(2,6-diamino-9H-purin-9-yl)-, (2S-(2alpha,3beta,4alpha))-2,3-Oxetanedimethanol, 4-(6-amino-9H-purin-9-yl)-, (2alpha,3beta,4alpha)-2-Amino-9-(2-deoxy-2-hydroxymethyl-.beta.-D-erythro-oxetanosyl)adenosine
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 720.806 · 720.806±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 2.086 · 2.086±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.438 · 14.438±0.10(predicted)
Related reactions
2 records
Compound notes
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