ChemSpider 2D Image | (8S,21S)-16,27-Dimethoxy-22-methyl-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 | C35H34N2O5

(8S,21S)-16,27-Dimethoxy-22-methyl-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 FormulaC35H34N2O5
  • Average mass562.655 Da
  • Monoisotopic mass562.246765 Da
  • ChemSpider ID28500795

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8S,21S)-16,27-Dimethoxy-22-methyl-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,21S)-16,27-Dimethoxy-22-methyl-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,21S)-16,27-Diméthoxy-22-méthyl-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: 723.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 391.1±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 160.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 4.29
ACD/KOC (pH 5.5): 11.88
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 2612.51
ACD/KOC (pH 7.4): 7232.36
Polar Surface Area: 72 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 442.4±3.0 cm3

Click to predict properties on the Chemicalize site


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