ChemSpider 2D Image | O-(Hydroxy{(2R)-3-[(1Z)-1-octadecen-1-yloxy]-2-[(9Z)-9-pentadecenoyloxy]propoxy}phosphoryl)-L-serine | C39H74NO9P

O-(Hydroxy{(2R)-3-[(1Z)-1-octadecen-1-yloxy]-2-[(9Z)-9-pentadecenoyloxy]propoxy}phosphoryl)-L-serine

  • Molecular FormulaC39H74NO9P
  • Average mass731.980 Da
  • Monoisotopic mass731.510132 Da
  • ChemSpider ID113376691

  • 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-Pentadecenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[(1Z)-1-octadecen-1-yloxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
O-(Hydroxy{(2R)-3-[(1Z)-1-octadecen-1-yloxy]-2-[(9Z)-9-pentadecenoyloxy]propoxy}phosphoryl)-L-serin [German] [ACD/IUPAC Name]
O-(Hydroxy{(2R)-3-[(1Z)-1-octadecen-1-yloxy]-2-[(9Z)-9-pentadecenoyloxy]propoxy}phosphoryl)-L-serine [ACD/IUPAC Name]
O-(Hydroxy{(2R)-3-[(1Z)-1-octadécén-1-yloxy]-2-[(9Z)-9-pentadecenoyloxy]propoxy}phosphoryl)-L-sérine [French] [ACD/IUPAC Name]
1-(1Z-octadecenyl)-2-(9Z-pentadecenoyl)-glycero-3-phosphoserine
PS(P-18:0/15:1(9Z))
PS(P-18:0/15:1)
PS(P-33:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 781.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 123.7±6.0 kJ/mol
Flash Point: 426.5±35.7 °C
Index of Refraction: 1.490
Molar Refractivity: 203.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 14.59
ACD/LogD (pH 5.5): 8.63
ACD/BCF (pH 5.5): 308981.22
ACD/KOC (pH 5.5): 29942.58
ACD/LogD (pH 7.4): 8.53
ACD/BCF (pH 7.4): 242733.34
ACD/KOC (pH 7.4): 23522.67
Polar Surface Area: 164 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 702.8±3.0 cm3

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