ChemSpider 2D Image | 10,14,15-Trimethoxy-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-tridecaen-26-ol | C36H36N2O6

10,14,15-Trimethoxy-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-26-ol

  • Molecular FormulaC36H36N2O6
  • Average mass592.681 Da
  • Monoisotopic mass592.257324 Da
  • ChemSpider ID234223

More details:

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

10,14,15-Trimethoxy-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-26-ol [ACD/IUPAC Name]
10,14,15-Trimethoxy-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-26-ol [German] [ACD/IUPAC Name]
10,14,15-Triméthoxy-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-tridécaén-26-ol [French] [ACD/IUPAC Name]
10,14,15-trimethoxy-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-26-ol(non-preferred name)
2H,16H-6,9-ETHENO-1,24:11,15- DIMETHENOPYRIDO[2',3':17,18][1,11]DIOXACYCLOHENEICOSINO[ 2,3,4-IJ]ISOQUINOLIN-12-OL,3,5,16A,- 17,18,19-HEXAHYDRO-21,22,25-TRIMETHOXY-17- METHYL-,(16AS)-
3729-83-7 [RN]
Thalmethine

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

NSC104944 [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: 726.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 393.2±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 164.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 15.69
ACD/KOC (pH 5.5): 70.56
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 838.08
ACD/KOC (pH 7.4): 3767.90
Polar Surface Area: 82 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 453.1±7.0 cm3

Click to predict properties on the Chemicalize site


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