ChemSpider 2D Image | (5beta,7beta,8alpha,9beta,10alpha,13alpha)-7-Hydroxykaur-16-en-18-oate | C20H29O3

(5β,7β,8α,9β,10α,13α)-7-Hydroxykaur-16-en-18-oate

  • Molecular FormulaC20H29O3
  • Average mass317.443 Da
  • Monoisotopic mass317.212219 Da
  • ChemSpider ID28638977

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5β,7β,8α,9β,10α,13α)-7-Hydroxykaur-16-en-18-oat [German] [ACD/IUPAC Name]
(5β,7β,8α,9β,10α,13α)-7-Hydroxykaur-16-en-18-oate [ACD/IUPAC Name]
(5β,7β,8α,9β,10α,13α)-7-Hydroxykaur-16-én-18-oate [French] [ACD/IUPAC Name]
<i>ent</i&gt;-7&α
7-hydroxy-kaurenoic acid
ent-7-&α;-hydroxykaurenoate
ent-7-&α;-hydroxykaurenoic acid
-hydroxykaur-16-en-19-oate

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

ent-7α-Hydroxykaur-16-en-19-oate [DBID]
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion that is the conjugate base of ent-7alpha-hydroxykaur-16-en-19-oic acid, obtained by deprotonation of the carboxy group. ChEBI CHEBI:57298

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

Density:
Boiling Point: 467.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 250.6±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 171.69
ACD/KOC (pH 5.5): 724.19
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 2.70
ACD/KOC (pH 7.4): 11.38
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

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