Found 1 result

Search term: 128426932 (Found by CSID)
ChemSpider 2D Image | (2R)-1-[(13Z)-13-Docosenoyloxy]-3-(phosphonooxy)-2-propanyl (9alpha,11alpha,13E,15S)-9,11,15-trihydroxyprost-13-en-1-oate | C45H83O11P

(2R)-1-[(13Z)-13-Docosenoyloxy]-3-(phosphonooxy)-2-propanyl (9α,11α,13E,15S)-9,11,15-trihydroxyprost-13-en-1-oate

  • Molecular FormulaC45H83O11P
  • Average mass831.108 Da
  • Monoisotopic mass830.567322 Da
  • ChemSpider ID128426932

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R)-1-[(13Z)-13-Docosenoyloxy]-3-(phosphonooxy)-2-propanyl (9α,11α,13E,15S)-9,11,15-trihydroxyprost-13-en-1-oate [ACD/IUPAC Name]
(2R)-1-[(13Z)-13-Docosenoyloxy]-3-(phosphonooxy)-2-propanyl-(9α,11α,13E,15S)-9,11,15-trihydroxyprost-13-en-1-oat [German] [ACD/IUPAC Name]
(9α,11α,13E,15S)-9,11,15-Trihydroxyprost-13-én-1-oate de (2R)-1-[(13Z)-13-docosenoyloxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 9,11,15-trihydroxy-, (1R)-2-[[(13Z)-1-oxo-13-docosen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester, (9α,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: 868.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.4±6.0 kJ/mol
Flash Point: 478.9±37.1 °C
Index of Refraction: 1.519
Molar Refractivity: 230.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 4
ACD/LogP: 11.79
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 9008.20
ACD/KOC (pH 5.5): 2601.56
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 1059.90
ACD/KOC (pH 7.4): 306.10
Polar Surface Area: 190 Å2
Polarizability: 91.3±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 758.2±3.0 cm3

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