Found 14 results

Search term: MF = 'C_{47}H_{83}O_{10}P'
ChemSpider 2D Image | (2R)-1-{[(5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-6,8,10,14-icosatetraenoyl]oxy}-3-(phosphonooxy)-2-propanyl (15Z)-15-tetracosenoate | C47H83O10P

(2R)-1-{[(5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-6,8,10,14-icosatetraenoyl]oxy}-3-(phosphonooxy)-2-propanyl (15Z)-15-tetracosenoate

  • Molecular FormulaC47H83O10P
  • Average mass839.130 Da
  • Monoisotopic mass838.572388 Da
  • ChemSpider ID117221884

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(15Z)-15-Tétracosénoate de (2R)-1-{[(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-6,8,10,14-icosatetraenoyl]oxy}-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-{[(5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-6,8,10,14-icosatetraenoyl]oxy}-3-(phosphonooxy)-2-propanyl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(2R)-1-{[(5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-6,8,10,14-icosatetraenoyl]oxy}-3-(phosphonooxy)-2-propanyl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (1R)-2-[[(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-1-oxo-6,8,10,14-eicosatetraen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester, (15Z)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 870.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.7±6.0 kJ/mol
Flash Point: 480.1±37.1 °C
Index of Refraction: 1.507
Molar Refractivity: 238.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 14.31
ACD/LogD (pH 5.5): 8.55
ACD/BCF (pH 5.5): 286524.59
ACD/KOC (pH 5.5): 30952.38
ACD/LogD (pH 7.4): 7.62
ACD/BCF (pH 7.4): 33714.17
ACD/KOC (pH 7.4): 3642.04
Polar Surface Area: 170 Å2
Polarizability: 94.5±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 801.1±3.0 cm3

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