ChemSpider 2D Image | 4-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2(1H)-pyrimidinone | C9H16N3O14P3

4-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC9H16N3O14P3
  • Average mass483.156 Da
  • Monoisotopic mass482.984497 Da
  • ChemSpider ID21232333

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]- [ACD/Index Name]
4-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
({[({[(2S,3R,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
65-47-4 [RN]
CYTIDINE-5'-TRIPHOSPHATE
K0118UX80T

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

Density: 2.5±0.1 g/cm3
Boiling Point: 849.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.3±6.0 kJ/mol
Flash Point: 467.4±37.1 °C
Index of Refraction: 1.801
Molar Refractivity: 82.5±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.52
ACD/LogD (pH 5.5): -11.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 298 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 177.3±7.0 dyne/cm
Molar Volume: 192.8±7.0 cm3

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