ChemSpider 2D Image | 1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate | C44H77N3O15P2

1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate

  • Molecular FormulaC44H77N3O15P2
  • Average mass950.041 Da
  • Monoisotopic mass949.482971 Da
  • ChemSpider ID65322764
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate
1-{5-O-[{[{(2R)-2,3-Bis[(9E)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-ribofuranosyl}-4-imino-1,4-dihydro-2-pyrimidinol [German] [ACD/IUPAC Name]
1-{5-O-[{[{(2R)-2,3-Bis[(9E)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-ribofuranosyl}-4-imino-1,4-dihydro-2-pyrimidinol [ACD/IUPAC Name]
1-{5-O-[{[{(2R)-2,3-Bis[(9E)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-ribofuranosyl}-4-imino-1,4-dihydro-2-pyrimidinol [French] [ACD/IUPAC Name]
2-Pyrimidinol, 1-[5-O-[[[[(2R)-2,3-bis[[(9E)-1-oxo-9-hexadecen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-β-D-ribofuranosyl]-1,4-dihydro-4-imino- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 947.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.4±6.0 kJ/mol
Flash Point: 526.8±37.1 °C
Index of Refraction: 1.552
Molar Refractivity: 238.5±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 4
ACD/LogP: 10.09
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 4.26
ACD/KOC (pH 5.5): 5.21
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 4.16
ACD/KOC (pH 7.4): 5.08
Polar Surface Area: 284 Å2
Polarizability: 94.6±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 747.0±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement