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Search term: 113379138 (Found by CSID)
ChemSpider 2D Image | (2R)-1-[(9Z)-9-Nonadecenoyloxy]-3-(phosphonooxy)-2-propanyl docosanoate | C44H85O8P

(2R)-1-[(9Z)-9-Nonadecenoyloxy]-3-(phosphonooxy)-2-propanyl docosanoate

  • Molecular FormulaC44H85O8P
  • Average mass773.115 Da
  • Monoisotopic mass772.598206 Da
  • ChemSpider ID113379138

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-[(9Z)-9-Nonadecenoyloxy]-3-(phosphonooxy)-2-propanyl docosanoate [ACD/IUPAC Name]
(2R)-1-[(9Z)-9-Nonadecenoyloxy]-3-(phosphonooxy)-2-propanyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2R)-1-[(9Z)-9-nonadecenoyloxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
Docosanoic acid, (1R)-2-[[(9Z)-1-oxo-9-nonadecen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester [ACD/Index Name]
1-(9Z-nonadecenoyl)-2-docosanoyl-glycero-3-phosphate
PA(19:1(9Z)/22:0)
PA(19:1_22:0)
PA(41:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 787.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 124.6±6.0 kJ/mol
Flash Point: 430.3±35.7 °C
Index of Refraction: 1.478
Molar Refractivity: 221.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 17.94
ACD/LogD (pH 5.5): 12.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5262717.00
ACD/LogD (pH 7.4): 11.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 619211.00
Polar Surface Area: 129 Å2
Polarizability: 87.7±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 781.3±3.0 cm3

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