ChemSpider 2D Image | 10,14,15,26-Tetramethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1~7,11~.1~13,17~.1~23,27~.0~3,8~.0~21,35~]hexatriaconta-1(31),3,7(36),8,10,13(35),14,16,23(34),24,26,29,32-tridecaene | C37H38N2O6

10,14,15,26-Tetramethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),3,7(36),8,10,13(35),14,16,23(34),24,26,29,32-tridecaene

  • Molecular FormulaC37H38N2O6
  • Average mass606.707 Da
  • Monoisotopic mass606.273010 Da
  • ChemSpider ID234224

More details:

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

10,14,15,26-Tetramethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),3,7(36),8,10,13(35),14,16,23(34),24,26,29,32-tridecaen [German] [ACD/IUPAC Name]
10,14,15,26-Tetramethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),3,7(36),8,10,13(35),14,16,23(34),24,26,29,32-tridecaene [ACD/IUPAC Name]
10,14,15,26-Tétraméthoxy-20-méthyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),3,7(36),8,10,13(35),14,16,23(34),24,26,29,32-tridécaène [French] [ACD/IUPAC Name]
10,14,15,26-tetramethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),3,7(36),8,10,13(35),14,16,23(34),24,26,29,32-tridecaene(non-preferred name)
5979-99-7 [RN]
Thalmethine, O-methyl-
THALMETHINE,O-METHYL-

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

NSC104945 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 729.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.7±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 169.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 21.77
ACD/KOC (pH 5.5): 87.52
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1240.01
ACD/KOC (pH 7.4): 4985.24
Polar Surface Area: 71 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 477.5±7.0 cm3

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