Found 14 results

Search term: MF = 'C_{45}H_{85}O_{10}P'
ChemSpider 2D Image | (2R)-1-{[(9R,10R,12Z)-9,10-Dihydroxy-12-octadecenoyl]oxy}-3-(phosphonooxy)-2-propanyl (15Z)-15-tetracosenoate | C45H85O10P

(2R)-1-{[(9R,10R,12Z)-9,10-Dihydroxy-12-octadecenoyl]oxy}-3-(phosphonooxy)-2-propanyl (15Z)-15-tetracosenoate

  • Molecular FormulaC45H85O10P
  • Average mass817.124 Da
  • Monoisotopic mass816.588013 Da
  • ChemSpider ID117221900

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(15Z)-15-Tétracosénoate de (2R)-1-{[(9R,10R,12Z)-9,10-dihydroxy-12-octadecenoyl]oxy}-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-{[(9R,10R,12Z)-9,10-Dihydroxy-12-octadecenoyl]oxy}-3-(phosphonooxy)-2-propanyl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(2R)-1-{[(9R,10R,12Z)-9,10-Dihydroxy-12-octadecenoyl]oxy}-3-(phosphonooxy)-2-propanyl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (1R)-2-[[(9R,10R,12Z)-9,10-dihydroxy-1-oxo-12-octadecen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester, (15Z)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 842.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.2±6.0 kJ/mol
Flash Point: 463.2±37.1 °C
Index of Refraction: 1.493
Molar Refractivity: 228.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 14.39
ACD/LogD (pH 5.5): 8.46
ACD/BCF (pH 5.5): 247133.95
ACD/KOC (pH 5.5): 27845.17
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 29077.93
ACD/KOC (pH 7.4): 3276.28
Polar Surface Area: 170 Å2
Polarizability: 90.7±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 787.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement