ChemSpider 2D Image | (1'beta,2alpha,3beta,14xi)-10,11-Dimethoxytubulosan-8'-ol | C29H37N3O3

(1'β,2α,3β,14ξ)-10,11-Dimethoxytubulosan-8'-ol

  • Molecular FormulaC29H37N3O3
  • Average mass475.622 Da
  • Monoisotopic mass475.283478 Da
  • ChemSpider ID26350617

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1'β,2α,3β,14ξ)-10,11-Dimethoxytubulosan-8'-ol [German] [ACD/IUPAC Name]
(1'β,2α,3β,14ξ)-10,11-Dimethoxytubulosan-8'-ol [ACD/IUPAC Name]
(1'β,2α,3β,14ξ)-10,11-Diméthoxytubulosan-8'-ol [French] [ACD/IUPAC Name]
1H-Pyrido[3,4-b]indol-6-ol, 1-[[(2S,3R)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-, (1S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1254284/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 667.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 357.7±31.5 °C
Index of Refraction: 1.664
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.42
Polar Surface Area: 70 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 374.1±5.0 cm3

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