ChemSpider 2D Image | [5-({[3-(Benzyloxy)-2-hydroxypropyl](tetrahydro-2-furanylmethyl)amino}methyl)-5,13-dihydroxy-6,10-dimethyltricyclo[13.2.2.0~2,6~]nonadeca-1(17),9,15,18-tetraen-17-yl](2-furyl)methanone | C42H55NO7

[5-({[3-(Benzyloxy)-2-hydroxypropyl](tetrahydro-2-furanylmethyl)amino}methyl)-5,13-dihydroxy-6,10-dimethyltricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraen-17-yl](2-furyl)methanone

  • Molecular FormulaC42H55NO7
  • Average mass685.889 Da
  • Monoisotopic mass685.397827 Da
  • ChemSpider ID3640531

More details:

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

[5-({[3-(Benzyloxy)-2-hydroxypropyl](tetrahydro-2-furanylmethyl)amino}methyl)-5,13-dihydroxy-6,10-dimethyltricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraen-17-yl](2-furyl)methanon [German] [ACD/IUPAC Name]
[5-({[3-(Benzyloxy)-2-hydroxypropyl](tetrahydro-2-furanylmethyl)amino}methyl)-5,13-dihydroxy-6,10-dimethyltricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraen-17-yl](2-furyl)methanone [ACD/IUPAC Name]
[5-({[3-(Benzyloxy)-2-hydroxypropyl](tétrahydro-2-furanylméthyl)amino}méthyl)-5,13-dihydroxy-6,10-diméthyltricyclo[13.2.2.02,6]nonadéca-1(17),9,15,18-tétraén-17-yl](2-furyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [2,3,3a,8,9,10,11,14,15,15a-decahydro-1,9-dihydroxy-1-[[[2-hydroxy-3-(phenylmethoxy)propyl][(tetrahydro-2-furanyl)methyl]amino]methyl]-12,15a-dimethyl-4,7-etheno-1H-cyclopentacyclotetradece n-5-yl]-2-furanyl- [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: 817.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 448.2±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 194.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 857.57
ACD/KOC (pH 5.5): 1485.77
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 24450.89
ACD/KOC (pH 7.4): 42362.19
Polar Surface Area: 113 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 587.8±3.0 cm3

Click to predict properties on the Chemicalize site


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