ChemSpider 2D Image | XE9350000 | C38H42N2O6

XE9350000

  • Molecular FormulaC38H42N2O6
  • Average mass622.750 Da
  • Monoisotopic mass622.304260 Da
  • ChemSpider ID65868
  • defined stereocentres - 2 of 2 defined stereocentres


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Featured data source



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

(1b)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman
(1S,14S)-9,20,21,25-Tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.022,33.027,31]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaen
(1S,14S)-9,20,21,25-Tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.022,33.027,31]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaene
(1S,14S)-9,20,21,25-Tétraméthoxy-15,30-diméthyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.022,33.027,31]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodécaène
(1β)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman [ACD/IUPAC Name]
(1β)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman [German] [ACD/IUPAC Name]
(1β)-6,6',7,12-Tétraméthoxy-2,2'-diméthylberbaman [French] [ACD/IUPAC Name]
(1β,1'β)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman [ACD/IUPAC Name]
(1β,1'β)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman [German] [ACD/IUPAC Name]
(1β,1'β)-6,6',7,12-Tétraméthoxy-2,2'-diméthylberbaman [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

29EX23D5AJ [DBID]
365629_ALDRICH [DBID]
AIDS032943 [DBID]
AIDS-032943 [DBID]
Bio1_000200 [DBID]
Bio1_000689 [DBID]
Bio1_001178 [DBID]
Bio2_000199 [DBID]
Bio2_000679 [DBID]
BRN 0877811 [DBID]
More...

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

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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