ChemSpider 2D Image | O-Methylthalicberine | C38H42N2O6

O-Methylthalicberine

  • Molecular FormulaC38H42N2O6
  • Average mass622.750 Da
  • Monoisotopic mass622.304260 Da
  • ChemSpider ID90580

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(+)-O-Methylthalicberine
(3S,21S)-10,14,15,26-Tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecae n [German] [ACD/IUPAC Name]
(3S,21S)-10,14,15,26-Tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecae ne [ACD/IUPAC Name]
(3S,21S)-10,14,15,26-Tétraméthoxy-4,20-diméthyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodécaè ne [French] [ACD/IUPAC Name]
5096-71-9 [RN]
O-Methylthalicberine
(3s,21s)-10,14,15,26-tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaene(non-preferred name)
1361-58-6 [RN]
25161-55-1 [RN]
6,7,7',12-Tetramethoxy-2,2'-dimethylthalicberan
More...

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

C09590 [DBID]
NSC 269189 [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): 1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.64
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 615.26
ACD/KOC (pH 7.4): 2282.05
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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