ChemSpider 2D Image | (2R)-3-(Phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]oxy}propanoic acid | C18H31O7P

(2R)-3-(Phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]oxy}propanoic acid

  • Molecular FormulaC18H31O7P
  • Average mass390.408 Da
  • Monoisotopic mass390.180725 Da
  • ChemSpider ID35035935
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-3-(Phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]oxy}propanoic acid [ACD/IUPAC Name]
(2R)-3-(Phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]oxy}propansäure [German] [ACD/IUPAC Name]
(2r)-3-(Phosphonooxy)-2-{[(2z,6e)-3,7,11-Trimethyldodeca-2,6,10-Trien-1-Yl]oxy}propanoic Acid
Acide (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]oxy}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-(phosphonooxy)-2-[[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]oxy]-, (2R)- [ACD/Index Name]
FPQ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 567.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 93.1±6.0 kJ/mol
Flash Point: 296.9±32.9 °C
Index of Refraction: 1.513
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 332.8±3.0 cm3

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