ChemSpider 2D Image | O-{[(2R)-3-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-2-(heptadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine | C40H74NO10P

O-{[(2R)-3-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-2-(heptadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine

  • Molecular FormulaC40H74NO10P
  • Average mass759.990 Da
  • Monoisotopic mass759.505005 Da
  • ChemSpider ID113376243

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

9,12-Heptadecadienoic acid, (2R)-3-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-2-[(1-oxoheptadecyl)oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]
O-{[(2R)-3-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-2-(heptadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{[(2R)-3-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-2-(heptadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine [ACD/IUPAC Name]
O-{[(2R)-3-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-2-(heptadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
1-(9Z,12Z-heptadecadienoyl)-2-heptadecanoyl-glycero-3-phosphoserine
PS(17:0_17:2)
PS(17:2(9Z,12Z)/17:0)
PS(34:2)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 799.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 126.3±6.0 kJ/mol
Flash Point: 437.2±35.7 °C
Index of Refraction: 1.492
Molar Refractivity: 207.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 14.03
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 50863.38
ACD/KOC (pH 5.5): 8230.80
ACD/LogD (pH 7.4): 7.49
ACD/BCF (pH 7.4): 39858.77
ACD/KOC (pH 7.4): 6450.02
Polar Surface Area: 181 Å2
Polarizability: 82.4±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 716.4±3.0 cm3

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