Found 20 results

Search term: MF = 'C_{44}H_{79}O_{12}P'
ChemSpider 2D Image | (7Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaoctacos-7-en-21-yl (8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoate | C44H79O12P

(7Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacos-7-en-21-yl (8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoate

  • Molecular FormulaC44H79O12P
  • Average mass831.065 Da
  • Monoisotopic mass830.530884 Da
  • ChemSpider ID117223864

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(7Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacos-7-en-21-yl (8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoate [ACD/IUPAC Name]
(7Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacos-7-en-21-yl-(8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z)-5,6-Dihydroxy-8,11,14-icosatriénoate de (7Z,21R,27S)-24,27,28-trihydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacos-7-én-21-yle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, 5,6-dihydroxy-, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (8Z,11Z,14Z)- [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: 859.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.0±6.0 kJ/mol
Flash Point: 473.6±37.1 °C
Index of Refraction: 1.509
Molar Refractivity: 227.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 4
ACD/LogP: 10.62
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 625.30
ACD/KOC (pH 5.5): 370.89
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 528.93
ACD/KOC (pH 7.4): 313.73
Polar Surface Area: 199 Å2
Polarizability: 90.2±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 762.2±3.0 cm3

Click to predict properties on the Chemicalize site


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