ChemSpider 2D Image | 6,6',12'-Trimethoxy-2,2'-dimethyloxyacanthan-7-ol | C37H40N2O6

6,6',12'-Trimethoxy-2,2'-dimethyloxyacanthan-7-ol

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID90003
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

6,6',12'-Trimethoxy-2,2'-dimethyloxyacanthan-7-ol [ACD/IUPAC Name]
6,6',12'-Trimethoxy-2,2'-dimethyloxyacanthan-7-ol [German] [ACD/IUPAC Name]
6,6',12'-Triméthoxy-2,2'-diméthyloxyacanthan-7-ol [French] [ACD/IUPAC Name]
(+)-homoaromoline
(1R,14S)-6,20,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3,5,7(36),9,11,18(33),19,21,24(32),25,27(31),34-dodecaen-21-ol
(1R,14S)-6,20,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3,5,7(36),9,11,18,20,22(33),24(32),25,27(31),34-dodecaen-21-ol
10172-03-9 [RN]
17132-74-0 [RN]
CHEMBL509855
Homoaromoline
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 251213 [DBID]
NSC251213 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 709.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 383.0±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: 3.78
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 177.17
ACD/KOC (pH 7.4): 867.03
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

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