ChemSpider 2D Image | Methyl (1R,3R,4R,14S,18R)-19-hydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.1~1,4~.0~7,20~.0~10,18~.0~15,19~]icosa-7(20),16-diene-3-carboxylate | C23H31NO4

Methyl (1R,3R,4R,14S,18R)-19-hydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.11,4.07,20.010,18.015,19]icosa-7(20),16-diene-3-carboxylate

  • Molecular FormulaC23H31NO4
  • Average mass385.496 Da
  • Monoisotopic mass385.225311 Da
  • ChemSpider ID28942332

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(1R,3R,4R,14S,18R)-19-Hydroxy-18-(hydroxyméthyl)-14-méthyl-12-azahexacyclo[10.6.1.11,4.07,20.010,18.015,19]icosa-7(20),16-diène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
7H-1,6-Methanocyclopent[1,8]azuleno[4,3a-g]indole-11-carboxylic acid, 2,3,3a,5a,6,8,9,10,10a,11,12,12b-dodecahydro-12b-hydroxy-5a-(hydroxymethyl)-3-methyl-, methyl ester, (3S,5aR,10aR,11R,12aR)- [ACD/Index Name]
Methyl (1R,3R,4R,14S,18R)-19-hydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.11,4.07,20.010,18.015,19]icosa-7(20),16-diene-3-carboxylate [ACD/IUPAC Name]
Methyl-(1R,3R,4R,14S,18R)-19-hydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.11,4.07,20.010,18.015,19]icosa-7(20),16-dien-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: 545.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.8±6.0 kJ/mol
Flash Point: 283.9±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 104.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 7.27
ACD/KOC (pH 5.5): 75.15
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 64.50
ACD/KOC (pH 7.4): 666.41
Polar Surface Area: 70 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 288.1±5.0 cm3

Click to predict properties on the Chemicalize site


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