ChemSpider 2D Image | 5'-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}cytidine | C9H17N3O17P4

5'-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}cytidine

  • Molecular FormulaC9H17N3O17P4
  • Average mass563.136 Da
  • Monoisotopic mass562.950867 Da
  • ChemSpider ID2338419
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

5'-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}cytidin [German] [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}cytidine [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[hydroxy[[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
10592-99-1 [RN]
10592-99-1,87980-19-6
87980-19-6 [RN]
Cytidine 5'-(pentahydrogen tetraphosphate)
Cytidine 5'-tetraphosphate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.6±0.1 g/cm3
Boiling Point: 925.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.7±6.0 kJ/mol
Flash Point: 513.2±37.1 °C
Index of Refraction: 1.811
Molar Refractivity: 92.4±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -6.79
ACD/LogD (pH 5.5): -14.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -15.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 354 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 201.1±7.0 dyne/cm
Molar Volume: 214.1±7.0 cm3

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