Found 23 results

Search term: MF = 'C_{46}H_{81}O_{10}P'
ChemSpider 2D Image | (21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoate | C46H81O10P

(21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl (7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC46H81O10P
  • Average mass825.103 Da
  • Monoisotopic mass824.556763 Da
  • ChemSpider ID59699516

  • 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

(21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl (7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl-(7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaénoate de (21R,27S)-24,27,28-trihydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (7E,10E,13E,16E,19E)- [ACD/Index Name]
[(2S)-2,3-dihydroxypropoxy][(2R)-2-(docosa-7,10,13,16,19-pentaenoyloxy)-3-(octadecanoyloxy)propoxy]phosphinic acid
PG(18:0/22:5(7Z,10Z,13Z,16Z,19Z))

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

Density: 1.0±0.1 g/cm3
Boiling Point: 828.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.0±6.0 kJ/mol
Flash Point: 454.9±37.1 °C
Index of Refraction: 1.502
Molar Refractivity: 233.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 14.20
ACD/LogD (pH 5.5): 8.61
ACD/BCF (pH 5.5): 312404.38
ACD/KOC (pH 5.5): 31689.96
ACD/LogD (pH 7.4): 8.54
ACD/BCF (pH 7.4): 264215.00
ACD/KOC (pH 7.4): 26801.69
Polar Surface Area: 159 Å2
Polarizability: 92.7±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 793.0±3.0 cm3

Click to predict properties on the Chemicalize site


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