ChemSpider 2D Image | Hernandezine | C39H44N2O7

Hernandezine

  • Molecular FormulaC39H44N2O7
  • Average mass652.776 Da
  • Monoisotopic mass652.314880 Da
  • ChemSpider ID65282

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1β)-5,6,6',7,12-Pentamethoxy-2,2'-dimethylberbaman [ACD/IUPAC Name]
(1β)-5,6,6',7,12-Pentamethoxy-2,2'-dimethylberbaman [German] [ACD/IUPAC Name]
(1β)-5,6,6',7,12-Pentaméthoxy-2,2'-diméthylberbaman [French] [ACD/IUPAC Name]
6681-13-6 [RN]
Berbaman, 5,6,6',7,12-pentamethoxy-2,2'-dimethyl-, (1β)-
Hernandezine [Wiki]
(+)-Hernandezine
(1S,14S)-9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3,5,8(34),9,11,18,20,22(33),24(32),25,27(31),35-
(1S,14S)-9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3,5,8(34),9,11,18,20,22(33),24(32),25,27(31),35-dodecaene
(1S,14S)-9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3,5,8(34),9,11,18,20,22(33),24(32),25,27(31),35-
More...

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

AIDS003051 [DBID]
AIDS-003051 [DBID]
C09461 [DBID]
NSC626650 [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: 732.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 178.9±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 184.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.60
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 352.37
ACD/KOC (pH 7.4): 1603.21
Polar Surface Area: 71 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 555.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement