ChemSpider 2D Image | [(1R,2S,5S,6S,9R,10R,15R)-5-({[(2R)-3-(Benzyloxy)-2-hydroxypropyl][(2R)-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-die n-17-yl](2-furyl)methanone | C42H55NO7

[(1R,2S,5S,6S,9R,10R,15R)-5-({[(2R)-3-(Benzyloxy)-2-hydroxypropyl][(2R)-tetrahydro-2-furanylmethyl]amino}methyl)-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-die n-17-yl](2-furyl)methanone

  • Molecular FormulaC42H55NO7
  • Average mass685.889 Da
  • Monoisotopic mass685.397827 Da
  • ChemSpider ID5099650

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

[(1R,2S,5S,6S,9R,10R,15R)-5-({[(2R)-3-(Benzyloxy)-2-hydroxypropyl][(2R)-tetrahydro-2-furanylmethyl]amino}methyl)-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-die n-17-yl](2-furyl)methanon [German] [ACD/IUPAC Name]
[(1R,2S,5S,6S,9R,10R,15R)-5-({[(2R)-3-(Benzyloxy)-2-hydroxypropyl][(2R)-tetrahydro-2-furanylmethyl]amino}methyl)-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-die n-17-yl](2-furyl)methanone [ACD/IUPAC Name]
[(1R,2S,5S,6S,9R,10R,15R)-5-({[(2R)-3-(Benzyloxy)-2-hydroxypropyl][(2R)-tétrahydro-2-furanylméthyl]amino}méthyl)-5,13-dihydroxy-6,10-diméthylpentacyclo[13.2.2.01,9.02,6.010,15]nonadéca-16,18-dié n-17-yl](2-furyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(5R,8R,9R,10R,13S,14S,17S)-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-3,17-dihydroxy-17-[[[(2R)-2-hydroxy-3-(phenylmethoxy)propyl][[(2R)-tetrahydro-2-furanyl]methyl]amino]methyl]-10,13-di methyl-5,8-etheno-2H-cyclopenta[a]phenanthren-7-yl]-2-furanyl- [ACD/Index Name]
DDS1_008253
SES1_001654

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: 1.634
Molar Refractivity: 191.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 224.49
ACD/KOC (pH 5.5): 557.97
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 6680.09
ACD/KOC (pH 7.4): 16603.10
Polar Surface Area: 113 Å2
Polarizability: 75.9±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 535.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement