ChemSpider 2D Image | (-)-Tetrandrine | C38H42N2O6

(-)-Tetrandrine

  • Molecular FormulaC38H42N2O6
  • Average mass622.750 Da
  • Monoisotopic mass622.304260 Da
  • ChemSpider ID66315

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(-)-Tetrandrine
(1'β)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman [ACD/IUPAC Name]
(1'β)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman [German] [ACD/IUPAC Name]
(1'β)-6,6',7,12-Tétraméthoxy-2,2'-diméthylberbaman [French] [ACD/IUPAC Name]
1263-79-2 [RN]
(-)-Phaeanthine
(-)-pheanthine
(1R,14R)-9,20,21,25-tetramethoxy-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-dodecaene
16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido(2',3':17,18)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinoline, 3,4,4a,5,16a,17,18,190octahydro-12,21,22,26-tetramethoxy-4,17-dimethyl-, (4aR,16aR)-
16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline,3,4,4a,5,16a,17,18,19-octahydro-12,21,22,26-tetramethoxy-4,17-dimethyl-,(4aR,16aR)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DDW9ZLW86P [DBID]
AIDS032944 [DBID]
AIDS-032944 [DBID]
NCI60_000124 [DBID]
NSC 105130 [DBID]
NSC105130 [DBID]
UNII:DDW9ZLW86P [DBID]
UNII-DDW9ZLW86P [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: 710.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 175.8±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 178.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.42
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 571.42
ACD/KOC (pH 7.4): 2126.69
Polar Surface Area: 62 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 531.1±3.0 cm3

Click to predict properties on the Chemicalize site


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