ChemSpider 2D Image | O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(9Z,12Z)-9,12-heptadecadienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C45H76NO10P

O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(9Z,12Z)-9,12-heptadecadienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC45H76NO10P
  • Average mass822.059 Da
  • Monoisotopic mass821.520691 Da
  • ChemSpider ID113376263

  • 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

7,10,13,16-Docosatetraenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z,12Z)-1-oxo-9,12-heptadecadien-1-yl]oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(9Z,12Z)-9,12-heptadecadienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(9Z,12Z)-9,12-heptadecadienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(9Z,12Z)-9,12-heptadecadienoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
1-(9Z,12Z-heptadecadienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphoserine
PS(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
PS(17:2_22:4)
PS(39:6)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 839.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 132.5±6.0 kJ/mol
Flash Point: 461.7±37.1 °C
Index of Refraction: 1.510
Molar Refractivity: 231.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 14.29
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 6585.95
ACD/KOC (pH 5.5): 1905.35
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 5161.02
ACD/KOC (pH 7.4): 1493.11
Polar Surface Area: 181 Å2
Polarizability: 91.7±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 773.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement