P(3)-1-(2-nitrophenyl)ethylcytidine-5'-triphosphate
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Basic information
- CAS
114119-93-6- Standard SMILES
CC(c1ccccc1[N+](=O)[O-])C(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O- InChIKey
SYPHVFZJXBVJJN-LIAIKUQASA-N- Molecular formula
- C17H23N4O16P3
- Average molar mass
- 632.3 g/mol
- Monoisotopic mass
- 632.03219165
Names & identifiers
- Preferred name
- P(3)-1-(2-nitrophenyl)ethylcytidine-5'-triphosphate
- IUPAC
- [[1-[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-(2-nitrophenyl)propoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate
- English name
- P(3)-1-(2-nitrophenyl)ethylcytidine-5'-triphosphate
- Molecular formula
- C17H23N4O16P3
- Molecular weight
- 632.3
Names & synonyms
Caged ctp114119-93-6P(3)-1-(2-Nitrophenyl)ethylcytidine-5'-triphosphateRefChem:169244[[1-[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-(2-nitrophenyl)propoxy]-hydroxyphosphoryl] phosphono hydrogen phosphateP(3)-1-(2-nitrophenyl)ethylcytidine-5/'-triphosphateDTXSID709212781-[6,7-Dideoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-6-(2-nitrophenyl)-beta-D-ribo-heptofuranosyl]-4-imino-1,4-dihydropyrimidin-2-ol1-[6,7-Dideoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-6-(2-nitrophenyl)heptofuranosyl]-4-imino-1,4-dihydropyrimidin-2-ol3P-1-(2-NITROPHENYL)ETHYLCYTIDINE-5'-TRIPHOSPHONA...Cytidine 5'-(tetrahydrogen triphosphate), P''-[1-(2-nitrophenyl)ethyl] ester (9CI)
Database identifiers
- CAS
114119-93-6- PubChem CID
- 195059
- DTXSID
DTXSID70921278
Properties
Computed structural propertiesFilling in
- XLogP
- -4.3
- Topological polar surface area
- 314 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,190
Physicochemical properties
- Boiling point
- 899.7 · 899.7±75.0 °C(Predicted)
- Density
- 2.06 · 2.06±0.1 g/cm3(Predicted)
- pka
- 0.87 · 0.87±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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