ChemSpider 2D Image | O-[{(2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-[(9Z)-9-tetradecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C42H76NO10P

O-[{(2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-[(9Z)-9-tetradecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC42H76NO10P
  • Average mass786.027 Da
  • Monoisotopic mass785.520691 Da
  • ChemSpider ID74876205

  • 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

13,16-Docosadienoic acid, (2R)-3-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester, (13Z,16Z)- [ACD/Index Name]
O-[{(2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-[(9Z)-9-tetradecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-[(9Z)-9-tetradecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-[(9Z)-9-tetradecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid
1-(13Z,16Z-docosadienoyl)-2-(9Z-tetradecenoyl)-glycero-3-phosphoserine
PS(14:1_22:2)
PS(22:2(13Z,16Z)/14:1(9Z))
PS(36:3)

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 815.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.8±6.0 kJ/mol
Flash Point: 447.2±37.1 °C
Index of Refraction: 1.497
Molar Refractivity: 217.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 14.58
ACD/LogD (pH 5.5): 6.64
ACD/BCF (pH 5.5): 9548.51
ACD/KOC (pH 5.5): 2485.67
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 7482.63
ACD/KOC (pH 7.4): 1947.88
Polar Surface Area: 181 Å2
Polarizability: 86.1±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 743.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement