Found 1 result

Search term: 117211157 (Found by CSID)
ChemSpider 2D Image | 5'-O-[Hydroxy({hydroxy[(2R)-2-[(11Z,14Z)-11,14-icosadienoyloxy]-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}propoxy]phosphoryl}oxy)phosphoryl]cytidine | C52H83N3O18P2

5'-O-[Hydroxy({hydroxy[(2R)-2-[(11Z,14Z)-11,14-icosadienoyloxy]-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}propoxy]phosphoryl}oxy)phosphoryl]cytidine

  • Molecular FormulaC52H83N3O18P2
  • Average mass1100.172 Da
  • Monoisotopic mass1099.514648 Da
  • ChemSpider ID117211157

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

5'-O-[Hydroxy({hydroxy[(2R)-2-[(11Z,14Z)-11,14-icosadienoyloxy]-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}propoxy]phosphoryl}oxy)phosphoryl]cytidin [German] [ACD/IUPAC Name]
5'-O-[Hydroxy({hydroxy[(2R)-2-[(11Z,14Z)-11,14-icosadienoyloxy]-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}propoxy]phosphoryl}oxy)phosphoryl]cytidine [ACD/IUPAC Name]
5'-O-[Hydroxy({hydroxy[(2R)-2-[(11Z,14Z)-11,14-icosadienoyloxy]-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}propoxy]phosphoryl}oxy)phosphoryl]cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[hydroxy[[hydroxy[(2R)-2-[[(11Z,14Z)-1-oxo-11,14-eicosadien-1-yl]oxy]-3-[[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxy-1-oxo-7,9,11,13,17-eicosapentaen-1-yl]oxy]propoxy]phosphinyl]ox y]phosphinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1094.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 181.8±6.0 kJ/mol
Flash Point: 615.9±37.1 °C
Index of Refraction: 1.555
Molar Refractivity: 277.9±0.5 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 7.35
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 344 Å2
Polarizability: 110.2±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 866.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement