ChemSpider 2D Image | (3R)-5-(Dodecyloxy)-3-[(dodecyloxy)carbonyl]-3-hydroxy-5-oxopentanoic acid | C30H56O7

(3R)-5-(Dodecyloxy)-3-[(dodecyloxy)carbonyl]-3-hydroxy-5-oxopentanoic acid

  • Molecular FormulaC30H56O7
  • Average mass528.761 Da
  • Monoisotopic mass528.402588 Da
  • ChemSpider ID34985509

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-5-(Dodecyloxy)-3-[(dodecyloxy)carbonyl]-3-hydroxy-5-oxopentanoic acid [ACD/IUPAC Name]
(3R)-5-(Dodecyloxy)-3-[(dodecyloxy)carbonyl]-3-hydroxy-5-oxopentansäure [German] [ACD/IUPAC Name]
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2-didodecyl ester, (2R)- [ACD/Index Name]
Acide (3R)-5-(dodécyloxy)-3-[(dodécyloxy)carbonyl]-3-hydroxy-5-oxopentanoïque [French] [ACD/IUPAC Name]
1,2-DILAURYL CITRATE
247-146-3 [EINECS]
25637-88-1 [RN]
Dilauryl citrate
UNII-0NAI0IGM32
UNII-5OYS3G306B

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

Density: 1.0±0.1 g/cm3
Boiling Point: 634.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.5±6.0 kJ/mol
Flash Point: 190.4±25.0 °C
Index of Refraction: 1.477
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 11.10
ACD/LogD (pH 5.5): 8.71
ACD/BCF (pH 5.5): 925262.00
ACD/KOC (pH 5.5): 204258.08
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 21332.53
ACD/KOC (pH 7.4): 4709.30
Polar Surface Area: 110 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 522.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement