ChemSpider 2D Image | (2R,14R)-5,8,11-Trihydroxy-27-methyl-14-{[(10-methyldodecanoyl)oxy]methyl}-2-[(10-methylundecanoyl)oxy]-5,11-dioxido-16-oxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphaoctacos-1-yl 15-methyl hexadecanoate | C65H126O17P2

(2R,14R)-5,8,11-Trihydroxy-27-methyl-14-{[(10-methyldodecanoyl)oxy]methyl}-2-[(10-methylundecanoyl)oxy]-5,11-dioxido-16-oxo-4,6,10,12,15-pentaoxa-5λ5,11λ5-diphosphaoctacos-1-yl 15-methyl hexadecanoate

  • Molecular FormulaC65H126O17P2
  • Average mass1241.633 Da
  • Monoisotopic mass1240.847046 Da
  • ChemSpider ID59685786

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R,14R)-5,8,11-Trihydroxy-27-methyl-14-{[(10-methyldodecanoyl)oxy]methyl}-2-[(10-methylundecanoyl)oxy]-5,11-dioxido-16-oxo-4,6,10,12,15-pentaoxa-5λ5,11λ5-diphosphaoctacos-1-yl 15-methyl 
hexadecanoate [ACD/IUPAC Name]
(2R,14R)-5,8,11-Trihydroxy-27-methyl-14-{[(10-methyldodecanoyl)oxy]methyl}-2-[(10-methylundecanoyl)oxy]-5,11-dioxido-16-oxo-4,6,10,12,15-pentaoxa-5λ5,11λ5-diphosphaoctacos-1-yl-15-methyl 
hexadecanoat [German] [ACD/IUPAC Name]
15-Méthylhexadécanoate de (2R,14R)-5,8,11-trihydroxy-27-méthyl-14-{[(10-méthyldodecanoyl)oxy]méthyl}-2-[(10-méthylundecanoyl)oxy]-16-oxo-5,11-dioxydo-4,6,10,12,15-pentaoxa-5λ5,11λ5-dipho sphaoctacos-1-yle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 15-methyl-, (2R)-3-[[hydroxy[2-hydroxy-3-[[hydroxy[(2R)-3-[(10-methyl-1-oxododecyl)oxy]-2-[(12-methyl-1-oxotridecyl)oxy]propoxy]phosphinyl]oxy]propoxy]phosphinyl]oxy]-2-[(10-methyl- 1-oxoundecyl)oxy]propyl ester [ACD/Index Name]
CL(a-13:0/i-14:0/i-17:0/i-12:0)[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): 13.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4364840.50
ACD/LogD (pH 7.4): 13.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4359821.00
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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