ChemSpider 2D Image | 4-Amino-1-[3-O-(4-benzoylbenzoyl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-alpha-D-ribofuranosyl]-2(1H)-pyrimidinone | C23H24N3O16P3

4-Amino-1-[3-O-(4-benzoylbenzoyl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-ribofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC23H24N3O16P3
  • Average mass691.368 Da
  • Monoisotopic mass691.036926 Da
  • ChemSpider ID114070

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2(1H)-Pyrimidinone, 4-amino-1-[3-O-(4-benzoylbenzoyl)-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-α-D-ribofuranosyl]- [ACD/Index Name]
4-Amino-1-[3-O-(4-benzoylbenzoyl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-ribofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[3-O-(4-benzoylbenzoyl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-ribofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[3-O-(4-benzoylbenzoyl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-ribofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
104960-26-1 [RN]
3'-O-(4-Benzoyl)benzoyl CTP
3'-O-(4-Benzoyl)benzoylcytidine 5'-triphosphate
3'-O-(4-BENZOYL)BENZOYLCYTIDINE 5'-TRIPHOSPHONATE
Cytidine5'-(tetrahydrogen triphosphate), 3'-(4-benzoylbenzoate) (9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point: 963.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.0±3.0 kJ/mol
Flash Point: 536.4±37.1 °C
Index of Refraction: 1.723
Molar Refractivity: 144.2±0.5 cm3
#H bond acceptors: 19
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -9.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 321 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 103.0±7.0 dyne/cm
Molar Volume: 363.9±7.0 cm3

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