ChemSpider 2D Image | (11R,26R)-4,5,19,20-Tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.2~13,16~.1~3,7~.1~18,22~.0~11,36~.0~26,33~]hexatriaconta-1(30),3(36),4,6,8,13,15,18(33),19,21,28,31,34-tridecaen e | C38H40N2O6

(11R,26R)-4,5,19,20-Tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,8,13,15,18(33),19,21,28,31,34-tridecaen e

  • Molecular FormulaC38H40N2O6
  • Average mass620.734 Da
  • Monoisotopic mass620.288635 Da
  • ChemSpider ID8707315

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(11R,26R)-4,5,19,20-Tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,8,13,15,18(33),19,21,28,31,34-tridecaen [German] [ACD/IUPAC Name]
(11R,26R)-4,5,19,20-Tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,8,13,15,18(33),19,21,28,31,34-tridecaen 
e [ACD/IUPAC Name]
(11R,26R)-4,5,19,20-Tétraméthoxy-10,25-diméthyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,8,13,15,18(33),19,21,28,31,34-tridécaèn 
e [French] [ACD/IUPAC Name]
8,11:20,23-Dietheno-1H,12H-[1,10]dioxacyclooctadecino[13,12,11-ij:4,3,2-i'j']diisoquinoline, 2,3,12a,13,24,24a-hexahydro-5,6,17,18-tetramethoxy-1,13-dimethyl-, (12aR,24aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 718.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 179.2±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 177.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 129.90
ACD/KOC (pH 5.5): 353.66
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 4488.97
ACD/KOC (pH 7.4): 12221.94
Polar Surface Area: 62 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 524.4±3.0 cm3

Click to predict properties on the Chemicalize site


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