Found 28 results

Search term: MF = 'C_{45}H_{79}O_{11}P'
ChemSpider 2D Image | (2R)-1-[(13Z)-13-Docosenoyloxy]-3-(phosphonooxy)-2-propanyl (5Z,9alpha,13E,15S)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oate | C45H79O11P

(2R)-1-[(13Z)-13-Docosenoyloxy]-3-(phosphonooxy)-2-propanyl (5Z,9α,13E,15S)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oate

  • Molecular FormulaC45H79O11P
  • Average mass827.076 Da
  • Monoisotopic mass826.536011 Da
  • ChemSpider ID128426918

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R)-1-[(13Z)-13-Docosenoyloxy]-3-(phosphonooxy)-2-propanyl (5Z,9α,13E,15S)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oate [ACD/IUPAC Name]
(2R)-1-[(13Z)-13-Docosenoyloxy]-3-(phosphonooxy)-2-propanyl-(5Z,9α,13E,15S)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oat [German] [ACD/IUPAC Name]
(5Z,9α,13E,15S)-9,15-Dihydroxy-11-oxoprosta-5,13-dién-1-oate de (2R)-1-[(13Z)-13-docosenoyloxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, (1R)-2-[[(13Z)-1-oxo-13-docosen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester, (5Z,9α,13E,15S)- [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: 867.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.2±6.0 kJ/mol
Flash Point: 478.2±37.1 °C
Index of Refraction: 1.521
Molar Refractivity: 228.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 11.30
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 5236.12
ACD/KOC (pH 5.5): 1764.10
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 616.14
ACD/KOC (pH 7.4): 207.58
Polar Surface Area: 187 Å2
Polarizability: 90.7±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 751.4±3.0 cm3

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