ChemSpider 2D Image | (13xi,17xi,18xi)-3-Acetoxyursan-28-oic acid | C32H52O4

(13ξ,17ξ,18ξ)-3-Acetoxyursan-28-oic acid

  • Molecular FormulaC32H52O4
  • Average mass500.753 Da
  • Monoisotopic mass500.386566 Da
  • ChemSpider ID2033432

  • defined stereocentres - 7 of 11 defined stereocentres

More details:

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

(13ξ,17ξ,18ξ)-3-Acetoxyursan-28-oic acid [ACD/IUPAC Name]
(13ξ,17ξ,18ξ)-3-Acetoxyursan-28-säure [German] [ACD/IUPAC Name]
Acide (13ξ,17ξ,18ξ)-3-acétoxyursan-28-oïque [French] [ACD/IUPAC Name]
Ursan-28-oic acid, 3-(acetyloxy)-, (13ξ,17ξ,18ξ)- [ACD/Index Name]
(1S,2R,6AR,6AR,6BR,8AR,12AR)-10-ACETYLOXY-1,2,6A,6B,9,9,12A-HEPTAMETHYL-2,3,4,5,6,6A,7,8,8A,10,11,12,13,14,14A,14B-HEXADECAHYDRO-1H-PICENE-4A-CARBOXYLIC ACID
3-(acetyloxy)ursan-28-oic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 559.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 167.6±16.1 °C
Index of Refraction: 1.535
Molar Refractivity: 143.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 10.25
ACD/LogD (pH 5.5): 8.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 521176.97
ACD/LogD (pH 7.4): 6.89
ACD/BCF (pH 7.4): 23521.46
ACD/KOC (pH 7.4): 8268.90
Polar Surface Area: 64 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 460.8±5.0 cm3

Click to predict properties on the Chemicalize site


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