ChemSpider 2D Image | (16R)-9-Hydroxy-10,25-dimethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2~3,6~.2~18,21~.1~8,12~.0~16,35~.0~27,31~]heptatriaconta-1(31),3,5,8(35),9,11,18,20,24,26,33,36-dodecaen-32-one | C36H36N2O6

(16R)-9-Hydroxy-10,25-dimethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.016,35.027,31]heptatriaconta-1(31),3,5,8(35),9,11,18,20,24,26,33,36-dodecaen-32-one

  • Molecular FormulaC36H36N2O6
  • Average mass592.681 Da
  • Monoisotopic mass592.257324 Da
  • ChemSpider ID4481106

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(16R)-9-Hydroxy-10,25-dimethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.016,35.027,31]heptatriaconta-1(31),3,5,8(35),9,11,18,20,24,26,33,36-dodecaen-32-on [German] [ACD/IUPAC Name]
(16R)-9-Hydroxy-10,25-dimethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.016,35.027,31]heptatriaconta-1(31),3,5,8(35),9,11,18,20,24,26,33,36-dodecaen-32-one [ACD/IUPAC Name]
(16R)-9-Hydroxy-10,25-diméthoxy-15-méthyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.016,35.027,31]heptatriaconta-1(31),3,5,8(35),9,11,18,20,24,26,33,36-dodécaén-32-one [French] [ACD/IUPAC Name]
10,25-dimethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.016,35.027,31]heptatriaconta-1(30),3,5,8(35),9,11,18,20,24,26,31,33,36-tridecaene-9,32-diol (non-preferred
warifteine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 805.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 441.0±34.3 °C
Index of Refraction: 1.689
Molar Refractivity: 166.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 16.61
ACD/KOC (pH 5.5): 73.23
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 687.36
ACD/KOC (pH 7.4): 3030.69
Polar Surface Area: 89 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 434.8±5.0 cm3

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