ChemSpider 2D Image | (14R,26R)-17,20,23-Trihydroxy-2,39-dimethyl-26-[(10-methylundecanoyl)oxy]-17,23-dioxido-11,29-dioxo-12,16,18,22,24,28-hexaoxa-17lambda~5~,23lambda~5~-diphosphatetracontan-14-yl 17-methyloctadecanoate | C65H126O17P2

(14R,26R)-17,20,23-Trihydroxy-2,39-dimethyl-26-[(10-methylundecanoyl)oxy]-17,23-dioxido-11,29-dioxo-12,16,18,22,24,28-hexaoxa-17λ5,23λ5-diphosphatetracontan-14-yl 17-methyloctadecanoate

  • Molecular FormulaC65H126O17P2
  • Average mass1241.633 Da
  • Monoisotopic mass1240.847046 Da
  • ChemSpider ID59681725

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(14R,26R)-17,20,23-Trihydroxy-2,39-dimethyl-26-[(10-methylundecanoyl)oxy]-17,23-dioxido-11,29-dioxo-12,16,18,22,24,28-hexaoxa-17λ5,23λ5-diphosphatetracontan-14-yl 17-methyloctadecanoate [ACD/IUPAC Name]
(14R,26R)-17,20,23-Trihydroxy-2,39-dimethyl-26-[(10-methylundecanoyl)oxy]-17,23-dioxido-11,29-dioxo-12,16,18,22,24,28-hexaoxa-17λ5,23λ5-diphosphatetracontan-14-yl-17-methyloctadecanoat [German] [ACD/IUPAC Name]
17-Méthyloctadécanoate de (14R,26R)-17,20,23-trihydroxy-2,39-diméthyl-26-[(10-méthylundecanoyl)oxy]-11,29-dioxo-17,23-dioxydo-12,16,18,22,24,28-hexaoxa-17λ5,23λ5-diphosphatétracontan-14- yle [French] [ACD/IUPAC Name]
Octadecanoic acid, 17-methyl-, (1R)-2-[[hydroxy[2-hydroxy-3-[[hydroxy[(2R)-3-[(11-methyl-1-oxododecyl)oxy]-2-[(10-methyl-1-oxoundecyl)oxy]propoxy]phosphinyl]oxy]propoxy]phosphinyl]oxy]-1-[[(10-methyl- 1-oxoundecyl)oxy]methyl]ethyl ester [ACD/Index Name]
CL(i-12:0/i-19:0/i-13:0/i-12:0)

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: 1.0±0.1 g/cm3
Boiling Point: 1028.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 170.3±6.0 kJ/mol
Flash Point: 576.0±37.1 °C
Index of Refraction: 1.478
Molar Refractivity: 335.3±0.3 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 66
#Rule of 5 Violations: 3
ACD/LogP: 23.38
ACD/LogD (pH 5.5): 13.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4453908.00
ACD/LogD (pH 7.4): 13.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4448786.00
Polar Surface Area: 257 Å2
Polarizability: 132.9±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 1184.3±3.0 cm3

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