ChemSpider 2D Image | (2R,8S)-2-(Heptadecanoyloxy)-5,8,11,11-tetrahydroxy-5,11-dioxido-4,6,10-trioxa-5lambda~5~,11lambda~5~-diphosphaundec-1-yl nonadecanoate | C42H84O13P2

(2R,8S)-2-(Heptadecanoyloxy)-5,8,11,11-tetrahydroxy-5,11-dioxido-4,6,10-trioxa-5λ5,11λ5-diphosphaundec-1-yl nonadecanoate

  • Molecular FormulaC42H84O13P2
  • Average mass859.056 Da
  • Monoisotopic mass858.538696 Da
  • ChemSpider ID59695798

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,8S)-2-(Heptadecanoyloxy)-5,8,11,11-tetrahydroxy-5,11-dioxido-4,6,10-trioxa-5λ5,11λ5-diphosphaundec-1-yl nonadecanoate [ACD/IUPAC Name]
(2R,8S)-2-(Heptadecanoyloxy)-5,8,11,11-tetrahydroxy-5,11-dioxido-4,6,10-trioxa-5λ5,11λ5-diphosphaundec-1-yl-nonadecanoat [German] [ACD/IUPAC Name]
Nonadécanoate de (2R,8S)-2-(heptadecanoyloxy)-5,8,11,11-tétrahydroxy-5,11-dioxydo-4,6,10-trioxa-5λ5,11λ5-diphosphaundéc-1-yle [French] [ACD/IUPAC Name]
Nonadecanoic acid, (2R)-3-[[hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphinyl]oxy]-2-[(1-oxoheptadecyl)oxy]propyl ester [ACD/Index Name]
PGP(19:0/17:0)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 862.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.5±6.0 kJ/mol
Flash Point: 475.4±37.1 °C
Index of Refraction: 1.484
Molar Refractivity: 225.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 3
ACD/LogP: 14.62
ACD/LogD (pH 5.5): 8.04
ACD/BCF (pH 5.5): 60706.48
ACD/KOC (pH 5.5): 4678.50
ACD/LogD (pH 7.4): 7.31
ACD/BCF (pH 7.4): 11388.04
ACD/KOC (pH 7.4): 877.65
Polar Surface Area: 215 Å2
Polarizability: 89.3±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 786.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement