ChemSpider 2D Image | 5'-O-{[(7-Carboxy-2,3,4,5-tetrahydroxy-7-oxoheptyl)oxy](hydroxy)phosphoryl}cytidine | C17H26N3O15P

5'-O-{[(7-Carboxy-2,3,4,5-tetrahydroxy-7-oxoheptyl)oxy](hydroxy)phosphoryl}cytidine

  • Molecular FormulaC17H26N3O15P
  • Average mass543.373 Da
  • Monoisotopic mass543.110168 Da
  • ChemSpider ID389214

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

5'-O-{[(7-Carboxy-2,3,4,5-tetrahydroxy-7-oxoheptyl)oxy](hydroxy)phosphoryl}cytidin [German] [ACD/IUPAC Name]
5'-O-{[(7-Carboxy-2,3,4,5-tetrahydroxy-7-oxoheptyl)oxy](hydroxy)phosphoryl}cytidine [ACD/IUPAC Name]
5'-O-{[(7-Carboxy-2,3,4,5-tétrahydroxy-7-oxoheptyl)oxy](hydroxy)phosphoryl}cytidine [French] [ACD/IUPAC Name]
CMP-3-deoxy-D-manno-octulosonate
CMP-KDO

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

C04121 [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 930.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.6±6.0 kJ/mol
Flash Point: 516.4±37.1 °C
Index of Refraction: 1.720
Molar Refractivity: 106.0±0.5 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -5.15
ACD/LogD (pH 5.5): -9.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 105.5±7.0 dyne/cm
Molar Volume: 268.4±7.0 cm3

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