Found 24 results

Search term: MF = 'C_{37}H_{67}O_{9}P'
ChemSpider 2D Image | (2R)-2-[(8-{3-[(2Z)-2-Octen-1-yl]-2-oxiranyl}octanoyl)oxy]-3-(phosphonooxy)propyl (9Z)-9-hexadecenoate | C37H67O9P

(2R)-2-[(8-{3-[(2Z)-2-Octen-1-yl]-2-oxiranyl}octanoyl)oxy]-3-(phosphonooxy)propyl (9Z)-9-hexadecenoate

  • Molecular FormulaC37H67O9P
  • Average mass686.896 Da
  • Monoisotopic mass686.452271 Da
  • ChemSpider ID117219411

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2R)-2-[(8-{3-[(2Z)-2-Octen-1-yl]-2-oxiranyl}octanoyl)oxy]-3-(phosphonooxy)propyl (9Z)-9-hexadecenoate [ACD/IUPAC Name]
(2R)-2-[(8-{3-[(2Z)-2-Octen-1-yl]-2-oxiranyl}octanoyl)oxy]-3-(phosphonooxy)propyl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Hexadécénoate de (2R)-2-[(8-{3-[(2Z)-2-octén-1-yl]-2-oxiranyl}octanoyl)oxy]-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
2-Oxiraneoctanoic acid, 3-[(2Z)-2-octen-1-yl]-, (1R)-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester [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: 741.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.7±6.0 kJ/mol
Flash Point: 402.1±35.7 °C
Index of Refraction: 1.490
Molar Refractivity: 188.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 11.90
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 4517.37
ACD/KOC (pH 5.5): 1587.36
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 531.52
ACD/KOC (pH 7.4): 186.77
Polar Surface Area: 142 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 651.2±3.0 cm3

Click to predict properties on the Chemicalize site


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