ChemSpider 2D Image | 1,2-ICOSAPENTOYL-SN-GLYCERO-3-PHOSPHOSERINE | C47H72NO10P

1,2-ICOSAPENTOYL-SN-GLYCERO-3-PHOSPHOSERINE

  • Molecular FormulaC47H72NO10P
  • Average mass842.049 Da
  • Monoisotopic mass841.489380 Da
  • ChemSpider ID32699258
  • 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

1,2-ICOSAPENTOYL-SN-GLYCERO-3-PHOSPHOSERINE
6,9,12,15,18-Heneicosapentaenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]methyl]ethyl ester, (6Z,9Z,12Z,1 5Z,18Z)- [ACD/Index Name]
O-[{(2R)-2-[(6Z,9Z,12Z,15Z,18Z)-6,9,12,15,18-Henicosapentaenoyloxy]-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-2-[(6Z,9Z,12Z,15Z,18Z)-6,9,12,15,18-Henicosapentaenoyloxy]-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-2-[(6Z,9Z,12Z,15Z,18Z)-6,9,12,15,18-Henicosapentaenoyloxy]-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]

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

C3019D8IIA [DBID]
UNII:C3019D8IIA [DBID]
UNII-C3019D8IIA [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 855.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 134.9±6.0 kJ/mol
Flash Point: 471.1±37.1 °C
Index of Refraction: 1.529
Molar Refractivity: 240.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 12.82
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 669.17
ACD/KOC (pH 5.5): 370.80
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 524.37
ACD/KOC (pH 7.4): 290.56
Polar Surface Area: 181 Å2
Polarizability: 95.5±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 780.9±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement