Found 14 results

Search term: MF = 'C_{47}H_{83}O_{10}P'
ChemSpider 2D Image | (3Z,6Z,9Z,12Z,15Z,23R,29S)-26,29,30-Trihydroxy-26-oxido-20-oxo-21,25,27-trioxa-26lambda~5~-phosphatriaconta-3,6,9,12,15-pentaen-23-yl henicosanoate | C47H83O10P

(3Z,6Z,9Z,12Z,15Z,23R,29S)-26,29,30-Trihydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphatriaconta-3,6,9,12,15-pentaen-23-yl henicosanoate

  • Molecular FormulaC47H83O10P
  • Average mass839.130 Da
  • Monoisotopic mass838.572388 Da
  • ChemSpider ID113377366

  • 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

(3Z,6Z,9Z,12Z,15Z,23R,29S)-26,29,30-Trihydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphatriaconta-3,6,9,12,15-pentaen-23-yl henicosanoate [ACD/IUPAC Name]
(3Z,6Z,9Z,12Z,15Z,23R,29S)-26,29,30-Trihydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphatriaconta-3,6,9,12,15-pentaen-23-yl-henicosanoat [German] [ACD/IUPAC Name]
Heneicosanoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
Hénicosanoate de (3Z,6Z,9Z,12Z,15Z,23R,29S)-26,29,30-trihydroxy-20-oxo-26-oxydo-21,25,27-trioxa-26λ5-phosphatriaconta-3,6,9,12,15-pentaén-23-yle [French] [ACD/IUPAC Name]
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-heneicosanoyl-glycero-3-phospho-(1'-sn-glycerol)
PG(20:5(5Z,8Z,11Z,14Z,17Z)/21:0)
PG(20:5_21:0)
PG(41:5)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 836.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.3±6.0 kJ/mol
Flash Point: 459.9±37.1 °C
Index of Refraction: 1.501
Molar Refractivity: 238.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 14.85
ACD/LogD (pH 5.5): 8.83
ACD/BCF (pH 5.5): 456812.09
ACD/KOC (pH 5.5): 41594.76
ACD/LogD (pH 7.4): 8.76
ACD/BCF (pH 7.4): 386355.44
ACD/KOC (pH 7.4): 35179.37
Polar Surface Area: 159 Å2
Polarizability: 94.6±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 809.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement