Found 1 result

Search term: 113376592 (Found by CSID)
ChemSpider 2D Image | O-{[(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-(octadecyloxy)propoxy](hydroxy)phosphoryl}-L-serine | C41H78NO9P

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

  • Molecular FormulaC41H78NO9P
  • Average mass760.033 Da
  • Monoisotopic mass759.541443 Da
  • ChemSpider ID113376592

  • 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, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[(octadecyloxy)methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
O-{[(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-(octadecyloxy)propoxy](hydroxy)phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{[(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-(octadecyloxy)propoxy](hydroxy)phosphoryl}-L-serine [ACD/IUPAC Name]
O-{[(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-(octadécyloxy)propoxy](hydroxy)phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
1-octadecyl-2-(9Z,12Z-heptadecadienoyl)-glycero-3-phosphoserine
PS(O-18:0/17:2(9Z,12Z))
PS(O-18:0/17:2)
PS(O-35:2)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 796.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.9±6.0 kJ/mol
Flash Point: 435.3±35.7 °C
Index of Refraction: 1.489
Molar Refractivity: 212.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 15.07
ACD/LogD (pH 5.5): 8.73
ACD/BCF (pH 5.5): 364507.97
ACD/KOC (pH 5.5): 33702.84
ACD/LogD (pH 7.4): 8.62
ACD/BCF (pH 7.4): 286482.44
ACD/KOC (pH 7.4): 26488.51
Polar Surface Area: 164 Å2
Polarizability: 84.3±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 735.8±3.0 cm3

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