Found 25 results

Search term: MF = 'C_{36}H_{56}O_{5}'
ChemSpider 2D Image | Tetrahydro-2H-pyran-4-ylmethyl (3beta)-3-hydroxy-11-oxoolean-12-en-30-oate | C36H56O5

Tetrahydro-2H-pyran-4-ylmethyl (3β)-3-hydroxy-11-oxoolean-12-en-30-oate

  • Molecular FormulaC36H56O5
  • Average mass568.827 Da
  • Monoisotopic mass568.412781 Da
  • ChemSpider ID28530977

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3-Hydroxy-11-oxooléan-12-én-30-oate de tétrahydro-2H-pyran-4-ylméthyle [French] [ACD/IUPAC Name]
Olean-12-en-30-oic acid, 3-hydroxy-11-oxo-, (tetrahydro-2H-pyran-4-yl)methyl ester, (3β)- [ACD/Index Name]
Tetrahydro-2H-pyran-4-ylmethyl (3β)-3-hydroxy-11-oxoolean-12-en-30-oate [ACD/IUPAC Name]
Tetrahydro-2H-pyran-4-ylmethyl-(3β)-3-hydroxy-11-oxoolean-12-en-30-oat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 639.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±6.0 kJ/mol
Flash Point: 190.8±25.0 °C
Index of Refraction: 1.553
Molar Refractivity: 161.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 7.44
ACD/BCF (pH 5.5): 267476.81
ACD/KOC (pH 5.5): 266947.53
ACD/LogD (pH 7.4): 7.44
ACD/BCF (pH 7.4): 267476.81
ACD/KOC (pH 7.4): 266947.53
Polar Surface Area: 73 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 504.6±5.0 cm3

Click to predict properties on the Chemicalize site


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