Found 51 results

Search term: MF = 'C_{42}H_{75}O_{10}P'
ChemSpider 2D Image | (9E,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaoctacos-9-en-21-yl (9E,12E,15E)-9,12,15-octadecatrienoate | C42H75O10P

(9E,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacos-9-en-21-yl (9E,12E,15E)-9,12,15-octadecatrienoate

  • Molecular FormulaC42H75O10P
  • Average mass771.013 Da
  • Monoisotopic mass770.509766 Da
  • ChemSpider ID59699536

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9E,12E,15E)-9,12,15-Octadécatriénoate de (9E,21R,27S)-24,27,28-trihydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacos-9-én-21-yle [French] [ACD/IUPAC Name]
(9E,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacos-9-en-21-yl (9E,12E,15E)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(9E,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacos-9-en-21-yl-(9E,12E,15E)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(9E)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester, (9E,12E,15E)- [ACD/Index Name]
[(2S)-2,3-dihydroxypropoxy][(2R)-3-(octadec-9-enoyloxy)-2-(octadeca-9,12,15-trienoyloxy)propoxy]phosphinic acid
PG(18:1(9Z)/18:3(9Z,12Z,15Z))

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 795.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±6.0 kJ/mol
Flash Point: 434.8±35.7 °C
Index of Refraction: 1.499
Molar Refractivity: 215.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 12.92
ACD/LogD (pH 5.5): 6.80
ACD/BCF (pH 5.5): 13080.03
ACD/KOC (pH 5.5): 3269.55
ACD/LogD (pH 7.4): 6.73
ACD/BCF (pH 7.4): 11062.27
ACD/KOC (pH 7.4): 2765.18
Polar Surface Area: 159 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 733.4±3.0 cm3

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