ChemSpider 2D Image | 2-Biphenylyl(5-{[(2,3-dihydroxypropyl)(tetrahydro-2-furanylmethyl)amino]methyl}-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.0~1,9~.0~2,6~.0~10,15~]nonadeca-16,18-dien-17-yl)methanone | C43H55NO6

2-Biphenylyl(5-{[(2,3-dihydroxypropyl)(tetrahydro-2-furanylmethyl)amino]methyl}-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-17-yl)methanone

  • Molecular FormulaC43H55NO6
  • Average mass681.900 Da
  • Monoisotopic mass681.402954 Da
  • ChemSpider ID4243565

More details:

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

2-Biphenylyl(5-{[(2,3-dihydroxypropyl)(tetrahydro-2-furanylmethyl)amino]methyl}-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-17-yl)methanon [German] [ACD/IUPAC Name]
2-Biphenylyl(5-{[(2,3-dihydroxypropyl)(tetrahydro-2-furanylmethyl)amino]methyl}-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-17-yl)methanone [ACD/IUPAC Name]
2-Biphénylyl(5-{[(2,3-dihydroxypropyl)(tétrahydro-2-furanylméthyl)amino]méthyl}-5,13-dihydroxy-6,10-diméthylpentacyclo[13.2.2.01,9.02,6.010,15]nonadéca-16,18-dién-17-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [1,1'-biphenyl]-2-yl[17-[[(2,3-dihydroxypropyl)[(tetrahydro-2-furanyl)methyl]amino]methyl]-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-3,17-dihydroxy-10,13-dimethyl-5,8-etheno-2H-cyclopenta [a]phenanthren-7-yl]- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 194.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 63.67
ACD/KOC (pH 5.5): 226.43
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 1894.30
ACD/KOC (pH 7.4): 6736.41
Polar Surface Area: 110 Å2
Polarizability: 77.0±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 528.0±5.0 cm3

Click to predict properties on the Chemicalize site


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