Found 1 result

Search term: 128426946 (Found by CSID)
ChemSpider 2D Image | (2R)-1-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(phosphonooxy)-2-propanyl (11alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oate | C45H79O11P

(2R)-1-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(phosphonooxy)-2-propanyl (11α,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oate

  • Molecular FormulaC45H79O11P
  • Average mass827.076 Da
  • Monoisotopic mass826.536011 Da
  • ChemSpider ID128426946

  • 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

(11α,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-én-1-oate de (2R)-1-[(13Z,16Z)-13,16-docosadienoyloxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(phosphonooxy)-2-propanyl (11α,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oate [ACD/IUPAC Name]
(2R)-1-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(phosphonooxy)-2-propanyl-(11α,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oat [German] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, (1R)-2-[[(13Z,16Z)-1-oxo-13,16-docosadien-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester, (11α,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: 10.91
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 640.46
ACD/KOC (pH 5.5): 392.10
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 75.36
ACD/KOC (pH 7.4): 46.13
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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