Found 24 results

Search term: MF = 'C_{37}H_{67}O_{9}P'
ChemSpider 2D Image | (2R)-1-[(14-Methylpentadecanoyl)oxy]-3-(phosphonooxy)-2-propanyl (9E,11E,15E)-13-hydroxy-9,11,15-octadecatrienoate | C37H67O9P

(2R)-1-[(14-Methylpentadecanoyl)oxy]-3-(phosphonooxy)-2-propanyl (9E,11E,15E)-13-hydroxy-9,11,15-octadecatrienoate

  • Molecular FormulaC37H67O9P
  • Average mass686.896 Da
  • Monoisotopic mass686.452271 Da
  • ChemSpider ID117222967

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-1-[(14-Methylpentadecanoyl)oxy]-3-(phosphonooxy)-2-propanyl (9E,11E,15E)-13-hydroxy-9,11,15-octadecatrienoate [ACD/IUPAC Name]
(2R)-1-[(14-Methylpentadecanoyl)oxy]-3-(phosphonooxy)-2-propanyl-(9E,11E,15E)-13-hydroxy-9,11,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9E,11E,15E)-13-Hydroxy-9,11,15-octadécatriénoate de (2R)-1-[(14-méthylpentadecanoyl)oxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
9,11,15-Octadecatrienoic acid, 13-hydroxy-, (1R)-2-[(14-methyl-1-oxopentadecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (9E,11E,15E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 753.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.3±6.0 kJ/mol
Flash Point: 409.8±35.7 °C
Index of Refraction: 1.496
Molar Refractivity: 190.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 11.21
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 2436.56
ACD/KOC (pH 5.5): 1020.39
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 286.69
ACD/KOC (pH 7.4): 120.06
Polar Surface Area: 149 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 651.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement