Found 24 results

Search term: MF = 'C_{36}H_{51}NO_{6}'
ChemSpider 2D Image | [(1R,2S,5S,6S,9R,10R,15R)-5-({[(2S)-2,3-Dihydroxypropyl](propyl)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](4-methoxyphenyl)methanone | C36H51NO6

[(1R,2S,5S,6S,9R,10R,15R)-5-({[(2S)-2,3-Dihydroxypropyl](propyl)amino}methyl)-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-17-yl](4-methoxyphenyl)methanone

  • Molecular FormulaC36H51NO6
  • Average mass593.793 Da
  • Monoisotopic mass593.371643 Da
  • ChemSpider ID5157464

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

[(1R,2S,5S,6S,9R,10R,15R)-5-({[(2S)-2,3-Dihydroxypropyl](propyl)amino}methyl)-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-17-yl](4-methoxyphenyl)methanon [German] [ACD/IUPAC Name]
[(1R,2S,5S,6S,9R,10R,15R)-5-({[(2S)-2,3-Dihydroxypropyl](propyl)amino}methyl)-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-17-yl](4-methoxyphenyl)methanone [ACD/IUPAC Name]
[(1R,2S,5S,6S,9R,10R,15R)-5-({[(2S)-2,3-Dihydroxypropyl](propyl)amino}méthyl)-5,13-dihydroxy-6,10-diméthylpentacyclo[13.2.2.01,9.02,6.010,15]nonadéca-16,18-dién-17-yl](4-méthoxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(5R,8R,9R,10R,13S,14S,17S)-17-[[[(2S)-2,3-dihydroxypropyl]propylamino]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]phenanthr en-7-yl](4-methoxyphenyl)- [ACD/Index Name]
SES1_001019

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

Density: 1.3±0.1 g/cm3
Boiling Point: 750.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.7±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 166.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 2.66
ACD/KOC (pH 5.5): 13.03
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 130.21
ACD/KOC (pH 7.4): 638.68
Polar Surface Area: 110 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 472.2±5.0 cm3

Click to predict properties on the Chemicalize site


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