ChemSpider 2D Image | 3-[(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,24,26,28-Docosahydroxynonacosyl)oxy]-23-hydroxyolean-12-en-28-oic acid | C59H106O26

3-[(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,24,26,28-Docosahydroxynonacosyl)oxy]-23-hydroxyolean-12-en-28-oic acid

  • Molecular FormulaC59H106O26
  • Average mass1231.457 Da
  • Monoisotopic mass1230.697266 Da
  • ChemSpider ID2300938

More details:

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

3-[(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,24,26,28-Docosahydroxynonacosyl)oxy]-23-hydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
3-[(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,24,26,28-Docosahydroxynonacosyl)oxy]-23-hydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide 3-[(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,24,26,28-docosahydroxynonacosyl)oxy]-23-hydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Nonacositol, 1,3,5,7,9,27-hexadeoxy-29-O-(23,28-dihydroxy-28-oxoolean-12-en-3-yl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1356.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 230.6±6.0 kJ/mol
Flash Point: 361.9±27.8 °C
Index of Refraction: 1.646
Molar Refractivity: 302.9±0.4 cm3
#H bond acceptors: 26
#H bond donors: 24
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: -22.17
ACD/LogD (pH 5.5): -11.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 512 Å2
Polarizability: 120.1±0.5 10-24cm3
Surface Tension: 92.7±5.0 dyne/cm
Molar Volume: 834.4±5.0 cm3

Click to predict properties on the Chemicalize site


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