ChemSpider 2D Image | (8S,21R)-16,27-Dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1~4,30~.1~10,14~.1~15,19~.0~3,8~.0~25,33~.0~28,32~]hexatriaconta-1,3,10(36),11,13,15(35),16,18,25,27,30(34),32-dodecaen-13
-ol | C36H36N2O5

(8S,21R)-16,27-Dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1,3,10(36),11,13,15(35),16,18,25,27,30(34),32-dodecaen-13 -ol

  • Molecular FormulaC36H36N2O5
  • Average mass576.681 Da
  • Monoisotopic mass576.262451 Da
  • ChemSpider ID28500796
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(8S,21R)-16,27-Dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1,3,10(36),11,13,15(35),16,18,25,27,30(34),32-dodecaen-13 ; -ol [German] [ACD/IUPAC Name]
(8S,21R)-16,27-Dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1,3,10(36),11,13,15(35),16,18,25,27,30(34),32-dodecaen-13 ; -ol [ACD/IUPAC Name]
(8S,21R)-16,27-Diméthoxy-7,22-diméthyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1,3,10(36),11,13,15(35),16,18,25,27,30(34),32-dodécaén-13 ; -ol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 710.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 383.4±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 165.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 37.67
ACD/KOC (pH 5.5): 79.13
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 11640.15
ACD/KOC (pH 7.4): 24449.87
Polar Surface Area: 64 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 457.4±3.0 cm3

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