ChemSpider 2D Image | 3-C-Carboxy-2,4-dideoxy-4-hexadecyl-D-erythro-pentaric acid | C22H40O7

3-C-Carboxy-2,4-dideoxy-4-hexadecyl-D-erythro-pentaric acid

  • Molecular FormulaC22H40O7
  • Average mass416.549 Da
  • Monoisotopic mass416.277405 Da
  • ChemSpider ID31043323
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-C-Carboxy-2,4-dideoxy-4-hexadecyl-D-erythro-pentaric acid [ACD/IUPAC Name]
3-C-Carboxy-2,4-didesoxy-4-hexadecyl-D-erythro-pentarsäure [German] [ACD/IUPAC Name]
Acide 3-C-carboxy-2,4-didésoxy-4-hexadécyl-D-érythro-pentarique [French] [ACD/IUPAC Name]
D-erythro-Pentaric acid, 3-C-carboxy-2,4-dideoxy-4-hexadecyl- [ACD/Index Name]
211-566-5 [EINECS]
AGARIC ACID
agaricic acid
UNII-2XE342S7L6

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

Density: 1.1±0.1 g/cm3
Boiling Point: 509.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.8±6.0 kJ/mol
Flash Point: 275.9±26.6 °C
Index of Refraction: 1.501
Molar Refractivity: 110.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 2.14
ACD/KOC (pH 5.5): 3.82
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 373.5±3.0 cm3

Click to predict properties on the Chemicalize site






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