ChemSpider 2D Image | (2R,8S)-2-(Decanoyloxy)-5,8,11,11-tetrahydroxy-5,11-dioxido-4,6,10-trioxa-5lambda~5~,11lambda~5~-diphosphaundec-1-yl decanoate | C26H52O13P2

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

  • Molecular FormulaC26H52O13P2
  • Average mass634.631 Da
  • Monoisotopic mass634.288330 Da
  • ChemSpider ID59695766

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,8S)-2-(Decanoyloxy)-5,8,11,11-tetrahydroxy-5,11-dioxido-4,6,10-trioxa-5λ5,11λ5-diphosphaundec-1-yl decanoate [ACD/IUPAC Name]
(2R,8S)-2-(Decanoyloxy)-5,8,11,11-tetrahydroxy-5,11-dioxido-4,6,10-trioxa-5λ5,11λ5-diphosphaundec-1-yl-decanoat [German] [ACD/IUPAC Name]
Décanoate de (2R,8S)-2-(decanoyloxy)-5,8,11,11-tétrahydroxy-5,11-dioxydo-4,6,10-trioxa-5λ5,11λ5-diphosphaundéc-1-yle [French] [ACD/IUPAC Name]
Decanoic acid, (1R)-2-[[hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphinyl]oxy]-1-[[(1-oxodecyl)oxy]methyl]ethyl ester [ACD/Index Name]
PGP(10:0/10:0)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 733.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.2±6.0 kJ/mol
Flash Point: 397.2±35.7 °C
Index of Refraction: 1.490
Molar Refractivity: 151.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 522.8±3.0 cm3

Click to predict properties on the Chemicalize site


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