Cytarazid triphosphate
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Basic information
- CAS
79065-89-7- Standard SMILES
[N-]=[N+]=N[C@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(N)nc1=O- InChIKey
HWSNFUNJICGTGY-PXBUCIJWSA-N- Molecular formula
- C9H15N6O13P3
- Average molar mass
- 508.17 g/mol
- Monoisotopic mass
- 507.99099555
Names & identifiers
- Preferred name
- Cytarazid triphosphate
- IUPAC
- [[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- English name
- 2(1H)-Pyrimidinone, 4-amino-1-(2-azido-2-deoxy-5-O-(hydroxy((hydroxy(p hosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-arabinofuranosyl)-
- Molecular formula
- C9H15N6O13P3
- Molecular weight
- 508.17
Names & synonyms
Cytarazid triphosphate79065-89-7DTXSID202295192(1H)-Pyrimidinone, 4-amino-1-(2-azido-2-deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-arabinofuranosyl)-4-Amino-1-[2-azido-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-arabinofuranosyl]pyrimidin-2(1H)-one2(1H)-Pyrimidinone, 4-amino-1-(2-azido-2-deoxy-5-O-(hydroxy((hydroxy(p hosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-arabinofuranosyl)-
Database identifiers
- CAS
79065-89-7- PubChem CID
- 157374
- DTXSID
DTXSID20229519
Properties
Computed structural propertiesFilling in
- XLogP
- -4.9
- Topological polar surface area
- 262 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 974
Physicochemical properties
- pka
- 0.796 · 0.796±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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