ChemSpider 2D Image | (9R,10R)-9,10,18-Trihydroxyoctadecanoic acid | C18H36O5

(9R,10R)-9,10,18-Trihydroxyoctadecanoic acid

  • Molecular FormulaC18H36O5
  • Average mass332.475 Da
  • Monoisotopic mass332.256287 Da
  • ChemSpider ID34985343

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9R,10R)-9,10,18-Trihydroxyoctadecanoic acid [ACD/IUPAC Name]
(9R,10R)-9,10,18-Trihydroxyoctadecansäure [German] [ACD/IUPAC Name]
17705-68-9 [RN]
36700-37-5 [RN]
583-86-8 [RN]
Acide (9R,10R)-9,10,18-trihydroxyoctadécanoïque [French] [ACD/IUPAC Name]
Octadecanoic acid, 9,10,18-trihydroxy-, (9R,10R)- [ACD/Index Name]
Octadecanoic acid, 9,10,18-trihydroxy-, (R*,R*)-(+)-
Phloionolic acid
PHLOIONOLIC ACID, (-)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5GA1534ULN [DBID]
R5RFM36A18 [DBID]
UNII:5GA1534ULN [DBID]
UNII:R5RFM36A18 [DBID]
VEK56M2855 [DBID]
UNII:VEK56M2855 [DBID]
UNII-5GA1534ULN [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 526.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.1±6.0 kJ/mol
Flash Point: 286.0±21.1 °C
Index of Refraction: 1.496
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 6.27
ACD/KOC (pH 5.5): 76.81
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 98 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 313.6±3.0 cm3

Click to predict properties on the Chemicalize site


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