ChemSpider 2D Image | (5xi,9xi,13xi,17xi,18xi)-3-Acetoxyoleanan-28-oic acid | C32H52O4

(5ξ,9ξ,13ξ,17ξ,18ξ)-3-Acetoxyoleanan-28-oic acid

  • Molecular FormulaC32H52O4
  • Average mass500.753 Da
  • Monoisotopic mass500.386566 Da
  • ChemSpider ID5140822

  • defined stereocentres - 3 of 9 defined stereocentres

More details:

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

(5ξ,9ξ,13ξ,17ξ,18ξ)-3-Acetoxyoleanan-28-oic acid [ACD/IUPAC Name]
(5ξ,9ξ,13ξ,17ξ,18ξ)-3-Acetoxyoleanan-28-säure [German] [ACD/IUPAC Name]
Acide (5ξ,9ξ,13ξ,17ξ,18ξ)-3-acétoxyoléanan-28-oïque [French] [ACD/IUPAC Name]
Oleanan-28-oic acid, 3-(acetyloxy)-, (5ξ,9ξ,13ξ,17ξ,18ξ)- [ACD/Index Name]
OLEANANOIC ACID ACETATE

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

DivK1c_006485 [DBID]
KBio1_001429 [DBID]
KBio2_001062 [DBID]
KBio2_003630 [DBID]
KBio2_006198 [DBID]
KBio3_002117 [DBID]
KBioGR_002210 [DBID]
KBioSS_001062 [DBID]
SPBio_001766 [DBID]
SpecPlus_000389 [DBID]
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 556.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 166.4±16.1 °C
Index of Refraction: 1.536
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 10.30
ACD/LogD (pH 5.5): 8.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 516933.53
ACD/LogD (pH 7.4): 6.90
ACD/BCF (pH 7.4): 23661.90
ACD/KOC (pH 7.4): 8174.43
Polar Surface Area: 64 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 43.3±5.0 dyne/cm
Molar Volume: 460.0±5.0 cm3

Click to predict properties on the Chemicalize site


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