ChemSpider 2D Image | (2r,5s,11r,14r)-5,8,11-Trihydroxy-2-(Nonanoyloxy)-5,11-Dioxido-16-Oxo-14-[(Propanoyloxy)methyl]-4,6,10,12,15-Pentaoxa-5,11-Diphosphanonadec-1-Yl Undecanoate | C36H68O17P2

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

  • Molecular FormulaC36H68O17P2
  • Average mass834.862 Da
  • Monoisotopic mass834.393188 Da
  • ChemSpider ID25056919
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R,14R)-5,8,11-Trihydroxy-2-(nonanoyloxy)-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)-5,8,11-Trihydroxy-2-(nonanoyloxy)-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,5s,11r,14r)-5,8,11-Trihydroxy-2-(Nonanoyloxy)-5,11-Dioxido-16-Oxo-14-[(Propanoyloxy)methyl]-4,6,10,12,15-Pentaoxa-5,11-Diphosphanonadec-1-Yl Undecanoate
Undécanoate de (2R,14R)-5,8,11-trihydroxy-2-(nonanoyloxy)-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-oxononyl)oxy]propyl ester [ACD/Index Name]
CN3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 821.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.9±6.0 kJ/mol
Flash Point: 450.7±37.1 °C
Index of Refraction: 1.483
Molar Refractivity: 201.1±0.3 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 8.71
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 17.41
ACD/KOC (pH 5.5): 14.16
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 17.39
ACD/KOC (pH 7.4): 14.14
Polar Surface Area: 257 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 704.1±3.0 cm3

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