ChemSpider 2D Image | (2r,5r,11s,14r)-2-(Butanoyloxy)-5,8,11-Trihydroxy-5,11-Dioxido-16-Oxo-14-[(Propanoyloxy)methyl]-4,6,10,12,15-Pentaoxa-5,11-Diphosphanonadec-1-Yl Undecanoate | C31H58O17P2

(2r,5r,11s,14r)-2-(Butanoyloxy)-5,8,11-Trihydroxy-5,11-Dioxido-16-Oxo-14-[(Propanoyloxy)methyl]-4,6,10,12,15-Pentaoxa-5,11-Diphosphanonadec-1-Yl Undecanoate

  • Molecular FormulaC31H58O17P2
  • Average mass764.729 Da
  • Monoisotopic mass764.314941 Da
  • ChemSpider ID25057117

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,14R)-2-(Butyryloxy)-5,8,11-trihydroxy-5,11-dioxido-16-oxo-14-[(propionyloxy)methyl]-4,6,10,12,15-pentaoxa-5λ5,11λ5-diphosphanonadec-1-yl undecanoate [ACD/IUPAC Name]
(2R,14R)-2-(Butyryloxy)-5,8,11-trihydroxy-5,11-dioxido-16-oxo-14-[(propionyloxy)methyl]-4,6,10,12,15-pentaoxa-5λ5,11λ5-diphosphanonadec-1-yl-undecanoat [German] [ACD/IUPAC Name]
(2r,5r,11s,14r)-2-(Butanoyloxy)-5,8,11-Trihydroxy-5,11-Dioxido-16-Oxo-14-[(Propanoyloxy)methyl]-4,6,10,12,15-Pentaoxa-5,11-Diphosphanonadec-1-Yl Undecanoate
Undécanoate de (2R,14R)-2-(butyryloxy)-5,8,11-trihydroxy-16-oxo-5,11-dioxydo-14-[(propionyloxy)méthyl]-4,6,10,12,15-pentaoxa-5λ5,11λ5-diphosphanonadéc-1-yle [French] [ACD/IUPAC Name]
Undecanoic acid, (2R)-3-[[hydroxy[2-hydroxy-3-[[hydroxy[(2R)-2-(1-oxobutoxy)-3-(1-oxopropoxy)propoxy]phosphinyl]oxy]propoxy]phosphinyl]oxy]-2-(1-oxobutoxy)propyl ester [ACD/Index Name]
CN6

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 781.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.5±6.0 kJ/mol
Flash Point: 426.1±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 178.0±0.3 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 257 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 621.6±3.0 cm3

Click to predict properties on the Chemicalize site


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