ChemSpider 2D Image | Methyl (1R,3R,4R,7S,10S,14S,15R,20S)-20-hydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.1~1,4~.0~7,20~.0~10,18~.0~15,19~]icosane-3-carboxylate | C23H35NO4

Methyl (1R,3R,4R,7S,10S,14S,15R,20S)-20-hydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.11,4.07,20.010,18.015,19]icosane-3-carboxylate

  • Molecular FormulaC23H35NO4
  • Average mass389.528 Da
  • Monoisotopic mass389.256622 Da
  • ChemSpider ID30651677

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(1R,3R,4R,7S,10S,14S,15R,20S)-20-Hydroxy-18-(hydroxyméthyl)-14-méthyl-12-azahexacyclo[10.6.1.11,4.07,20.010,18.015,19]icosane-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
4H-1,6-Methanocyclopent[1,8]azuleno[4,3a-g]indole-11-carboxylic acid, hexadecahydro-10b-hydroxy-5a-(hydroxymethyl)-3-methyl-, methyl ester, (3S,3aR,6S,8aS,10aR,10bS,11R,12aR)- [ACD/Index Name]
Methyl (1R,3R,4R,7S,10S,14S,15R,20S)-20-hydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.11,4.07,20.010,18.015,19]icosane-3-carboxylate [ACD/IUPAC Name]
Methyl-(1R,3R,4R,7S,10S,14S,15R,20S)-20-hydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.11,4.07,20.010,18.015,19]icosan-3-carboxylat [German] [ACD/IUPAC 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: 525.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 271.6±27.3 °C
Index of Refraction: 1.610
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 3.45
ACD/KOC (pH 7.4): 45.07
Polar Surface Area: 70 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 303.0±5.0 cm3

Click to predict properties on the Chemicalize site


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