Found 20 results

Search term: MF = 'C_{44}H_{79}O_{12}P'
ChemSpider 2D Image | (6Z,9R,10R,21R,27S)-9,10,24,27,28-Pentahydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaoctacos-6-en-21-yl (5Z,8Z,11Z)-5,8,11-icosatrienoate | C44H79O12P

(6Z,9R,10R,21R,27S)-9,10,24,27,28-Pentahydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacos-6-en-21-yl (5Z,8Z,11Z)-5,8,11-icosatrienoate

  • Molecular FormulaC44H79O12P
  • Average mass831.065 Da
  • Monoisotopic mass830.530884 Da
  • ChemSpider ID117224563

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5Z,8Z,11Z)-5,8,11-Icosatriénoate de (6Z,9R,10R,21R,27S)-9,10,24,27,28-pentahydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacos-6-én-21-yle [French] [ACD/IUPAC Name]
(6Z,9R,10R,21R,27S)-9,10,24,27,28-Pentahydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacos-6-en-21-yl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
(6Z,9R,10R,21R,27S)-9,10,24,27,28-Pentahydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacos-6-en-21-yl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, (1R)-2-[[(9R,10R,12Z)-9,10-dihydroxy-1-oxo-12-octadecen-1-yl]oxy]-1-[[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]methyl]ethyl ester, (5Z,8Z,11Z)- [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: 10.44
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 1269.11
ACD/KOC (pH 5.5): 615.61
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 1073.42
ACD/KOC (pH 7.4): 520.68
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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