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

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

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID329538

More details:

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

6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol [ACD/IUPAC Name]
6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol [German] [ACD/IUPAC Name]
6,6',7-Triméthoxy-2,2'-diméthyloxyacanthan-12'-ol [French] [ACD/IUPAC Name]
20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2?,????.1??,?.1???,???.0???,????.0????,????]hexatriaconta-3(36),4,6,9,11,18,20,22(33),24,26,31,34-dodecaen-6-ol
20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2<9 ,12>.1<3,7>.1<14,18>.0<22,36>.0<27,31>]hexatriaconta-3,5,7(35),9,11,18(36),19, 21,24(32),25,27(31),33-dodecaen-6-ol
20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2<9,12>.1<3,7>.1<14,18>.0<22,36>.0<27,31>]hexatriaconta-3,5,7(35),9,11,18(36),19,21,24(32),25,27(31),33-dodecaen-6-ol
20,21,25-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(36),4,6,9,11,18,20,22(33),24,26,31,34-dodecaen-6-ol
6,21-Dioxa-13,28-diazaheptacyclo[3.25.1(27,5).0(1,31).2(7.14).0(10,33).1(16.20).2(22.25)]hexatriacontan-1,3,5,7,9,16,18,20,22,24,33,36-dodecaene, 13,28-dimethyl-19-hydroxy-3,4,8-tris(methoxy)-
6,6'7'-Trimethoxy-2,2'-dimethyl-Oxyacanthan-12'-ol
6,6'7-Trimethoxy-2,2'-dimethyl-Oxyacanthan-12'-ol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS138465 [DBID]
AIDS-138465 [DBID]
C09598 [DBID]
NCI60_015453 [DBID]
NSC645315 [DBID]
NSC93135 [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: 707.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 381.4±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: 3.89
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.28
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 553.99
ACD/KOC (pH 7.4): 2134.21
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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