ChemSpider 2D Image | Vinetine | C37H40N2O6

Vinetine

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID390787
  • defined stereocentres - 2 of 2 defined stereocentres


More details:



Featured data source



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

(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,22,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol
208-946-8 [EINECS]
548-40-3 [RN]
6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol [ACD/IUPAC Name]
6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol [German] [ACD/IUPAC Name]
6,6',7-Trimethoxy-2,2'-dimethyl-oxyacanthan-12'-ol
6,6',7-Triméthoxy-2,2'-diméthyloxyacanthan-12'-ol [French] [ACD/IUPAC Name]
Oxyacanthan-12'-ol, 6,6',7-trimethoxy-2,2'-dimethyl-
oxyacanthine
Repandine
More...

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

C09598 [DBID]
CHEBI:7853 [DBID]
NSC93135 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 707.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 381.4±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 173.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.35
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 563.52
ACD/KOC (pH 7.4): 2170.91
Polar Surface Area: 73 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 505.6±3.0 cm3

Click to predict properties on the Chemicalize site






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