ChemSpider 2D Image | (1beta,1'beta)-6,6',12-Trimethoxy-2,2'-dimethylberbaman-7-ol | C37H40N2O6

(1β,1'β)-6,6',12-Trimethoxy-2,2'-dimethylberbaman-7-ol

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID4572485

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1β,1'β)-6,6',12-Trimethoxy-2,2'-dimethylberbaman-7-ol [ACD/IUPAC Name]
(1β,1'β)-6,6',12-Trimethoxy-2,2'-dimethylberbaman-7-ol [German] [ACD/IUPAC Name]
(1β,1'β)-6,6',12-Triméthoxy-2,2'-diméthylberbaman-7-ol [French] [ACD/IUPAC Name]
(1R,14S)-9,20,25-Trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol
THALRUGOSINE

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

NSC277171 [DBID]

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

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): 3.48
ACD/BCF (pH 7.4): 171.13
ACD/KOC (pH 7.4): 838.32
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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