ChemSpider 2D Image | (15R,27R)-18,21,24-Trihydroxy-3,40-dimethyl-27-{[(10-methylundecanoyl)oxy]methyl}-18,24-dioxido-12,29-dioxo-13,17,19,23,25,28-hexaoxa-18lambda~5~,24lambda~5~-diphosphadotetracontan-15-yl 14-methylpent adecanoate | C65H126O17P2

(15R,27R)-18,21,24-Trihydroxy-3,40-dimethyl-27-{[(10-methylundecanoyl)oxy]methyl}-18,24-dioxido-12,29-dioxo-13,17,19,23,25,28-hexaoxa-18λ5,24λ5-diphosphadotetracontan-15-yl 14-methylpent adecanoate

  • Molecular FormulaC65H126O17P2
  • Average mass1241.633 Da
  • Monoisotopic mass1240.847046 Da
  • ChemSpider ID59679530

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(15R,27R)-18,21,24-Trihydroxy-3,40-dimethyl-27-{[(10-methylundecanoyl)oxy]methyl}-18,24-dioxido-12,29-dioxo-13,17,19,23,25,28-hexaoxa-18λ5,24λ5-diphosphadotetracontan-15-yl 14-methylpent adecanoate [ACD/IUPAC Name]
(15R,27R)-18,21,24-Trihydroxy-3,40-dimethyl-27-{[(10-methylundecanoyl)oxy]methyl}-18,24-dioxido-12,29-dioxo-13,17,19,23,25,28-hexaoxa-18λ5,24λ5-diphosphadotetracontan-15-yl-14-methylpent adecanoat [German] [ACD/IUPAC Name]
14-Méthylpentadécanoate de (15R,27R)-18,21,24-trihydroxy-3,40-diméthyl-27-{[(10-méthylundecanoyl)oxy]méthyl}-12,29-dioxo-18,24-dioxydo-13,17,19,23,25,28-hexaoxa-18λ5,24λ5-diphosphadotétr acontan-15-yle [French] [ACD/IUPAC Name]
Pentadecanoic acid, 14-methyl-, (1R)-2-[[hydroxy[2-hydroxy-3-[[hydroxy[(2R)-2-[(12-methyl-1-oxotetradecyl)oxy]-3-[(10-methyl-1-oxoundecyl)oxy]propoxy]phosphinyl]oxy]propoxy]phosphinyl]oxy]-1-[[(10-met hyl-1-oxododecyl)oxy]methyl]ethyl ester [ACD/Index Name]
CL(a-13:0/i-16:0/i-12:0/a-15:0)[rac]

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): 13.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5038801.50
ACD/LogD (pH 7.4): 13.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5033007.00
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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