ChemSpider 2D Image | (3alpha,6axi)-Tazettine | C18H21NO5

(3α,6axi)-Tazettine

  • Molecular FormulaC18H21NO5
  • Average mass331.363 Da
  • Monoisotopic mass331.141968 Da
  • ChemSpider ID58817431

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3α,6axi)-Tazettin [German] [ACD/IUPAC Name]
(3α,6axi)-Tazettine [ACD/IUPAC Name]
(3α,6axi)-Tazettine [French] [ACD/IUPAC Name]
8H-[1,3]Dioxolo[6,7][2]benzopyrano[3,4-c]indol-6a(3H)-ol, 4,4a,5,6-tetrahydro-3-methoxy-5-methyl-, (3R,4aS,13bS)- [ACD/Index Name]
545-16-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 494.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 252.7±28.7 °C
Index of Refraction: 1.660
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.35
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.09
ACD/KOC (pH 7.4): 101.11
Polar Surface Area: 60 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 234.0±5.0 cm3

Click to predict properties on the Chemicalize site


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