ChemSpider 2D Image | (11S,26S)-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),4,6,13,15,18(33),19,21,28,31,34-dodecaene | C38H42N2O6

(11S,26S)-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),4,6,13,15,18(33),19,21,28,31,34-dodecaene

  • Molecular FormulaC38H42N2O6
  • Average mass622.750 Da
  • Monoisotopic mass622.304260 Da
  • ChemSpider ID26397497

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(11S,26S)-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),4,6,13,15,18(33),19,21,28,31,34-dodecaen [German] [ACD/IUPAC Name]
(11S,26S)-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),4,6,13,15,18(33),19,21,28,31,34-dodecaene [ACD/IUPAC Name]
(11S,26S)-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),4,6,13,15,18(33),19,21,28,31,34-dodécaène [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,13,14,15,24,24a-octahydro-5,6,17,18-tetramethoxy-1,13-dimethyl-, (12aS,24aS)- [ACD/Index Name]
518-94-5 [RN]
Cycleanine [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 691.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 169.8±28.7 °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: 3.96
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.94
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 575.21
ACD/KOC (pH 7.4): 2421.26
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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