ChemSpider 2D Image | (5s,11r)-5,8,11-Trihydroxy-5,11-Dioxido-17-Oxo-4,6,10,12,16-Pentaoxa-5,11-Diphosphaoctadec-1-Yl Pentadecanoate | C26H52O13P2

(5s,11r)-5,8,11-Trihydroxy-5,11-Dioxido-17-Oxo-4,6,10,12,16-Pentaoxa-5,11-Diphosphaoctadec-1-Yl Pentadecanoate

  • Molecular FormulaC26H52O13P2
  • Average mass634.631 Da
  • Monoisotopic mass634.288330 Da
  • ChemSpider ID25057037
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5s,11r)-5,8,11-Trihydroxy-5,11-Dioxido-17-Oxo-4,6,10,12,16-Pentaoxa-5,11-Diphosphaoctadec-1-Yl Pentadecanoate
8,11,14-Trihydroxy-8,14-dioxido-2-oxo-3,7,9,13,15-pentaoxa-8λ5,14λ5-diphosphaoctadecan-18-yl pentadecanoate [ACD/IUPAC Name]
8,11,14-Trihydroxy-8,14-dioxido-2-oxo-3,7,9,13,15-pentaoxa-8λ5,14λ5-diphosphaoctadecan-18-yl-pentadecanoat [German] [ACD/IUPAC Name]
Pentadécanoate de 8,11,14-trihydroxy-2-oxo-8,14-dioxydo-3,7,9,13,15-pentaoxa-8λ5,14λ5-diphosphaoctadécan-18-yle [French] [ACD/IUPAC Name]
Pentadecanoic acid, 3-[[[3-[[[3-(acetyloxy)propoxy]hydroxyphosphinyl]oxy]-2-hydroxypropoxy]hydroxyphosphinyl]oxy]propyl ester [ACD/Index Name]
CN5

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

Density: 1.2±0.1 g/cm3
Boiling Point: 704.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.9±6.0 kJ/mol
Flash Point: 380.1±35.7 °C
Index of Refraction: 1.482
Molar Refractivity: 151.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 531.3±3.0 cm3

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