Found 1 result

Search term: 74878403 (Found by CSID)
ChemSpider 2D Image | (16R,22S)-19,22,23-Trihydroxy-2-methyl-19-oxido-13-oxo-14,18,20-trioxa-19lambda~5~-phosphatricosan-16-yl 12-methyltetradecanoate | C35H69O10P

(16R,22S)-19,22,23-Trihydroxy-2-methyl-19-oxido-13-oxo-14,18,20-trioxa-19λ5-phosphatricosan-16-yl 12-methyltetradecanoate

  • Molecular FormulaC35H69O10P
  • Average mass680.890 Da
  • Monoisotopic mass680.462830 Da
  • ChemSpider ID74878403

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(16R,22S)-19,22,23-Trihydroxy-2-methyl-19-oxido-13-oxo-14,18,20-trioxa-19λ5-phosphatricosan-16-yl 12-methyltetradecanoate [ACD/IUPAC Name]
(16R,22S)-19,22,23-Trihydroxy-2-methyl-19-oxido-13-oxo-14,18,20-trioxa-19λ5-phosphatricosan-16-yl-12-methyltetradecanoat [German] [ACD/IUPAC Name]
12-Méthyltétradécanoate de (16R,22S)-19,22,23-trihydroxy-2-méthyl-13-oxo-19-oxydo-14,18,20-trioxa-19λ5-phosphatricosan-16-yle [French] [ACD/IUPAC Name]
Tetradecanoic acid, 12-methyl-, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(12-methyl-1-oxotridecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-2,3-dihydroxypropoxy((2R)-2-[(12-methyltetradecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propoxy)phosphinic acid
[(2S)-2,3-dihydroxypropoxy][(2R)-2-[(12-methyltetradecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propoxy]phosphinic acid
PG(i-14:0/a-15:0)

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 728.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.5±6.0 kJ/mol
Flash Point: 394.4±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 182.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: 11.07
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 1429.02
ACD/KOC (pH 5.5): 670.20
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 1208.57
ACD/KOC (pH 7.4): 566.81
Polar Surface Area: 159 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 644.1±3.0 cm3

Click to predict properties on the Chemicalize site


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