ChemSpider 2D Image | Methyl (1R,3R,4R,10S,14R,16Z,18R)-18-(hydroxymethyl)-14-methyl-15,19-dioxo-12-azapentacyclo[10.6.1.1~1,4~.0~7,20~.0~10,18~]icosa-7(20),16-diene-3-carboxylate | C23H29NO5

Methyl (1R,3R,4R,10S,14R,16Z,18R)-18-(hydroxymethyl)-14-methyl-15,19-dioxo-12-azapentacyclo[10.6.1.11,4.07,20.010,18]icosa-7(20),16-diene-3-carboxylate

  • Molecular FormulaC23H29NO5
  • Average mass399.480 Da
  • Monoisotopic mass399.204559 Da
  • ChemSpider ID30811905

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,3R,4R,10S,14R,16Z,18R)-18-(Hydroxyméthyl)-14-méthyl-15,19-dioxo-12-azapentacyclo[10.6.1.11,4.07,20.010,18]icosa-7(20),16-diène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-2,8-Methanocyclopent[1,8]azuleno[3a,4-c]azonine-13-carboxylic acid, 3,4,5,7a,8,9,10,11,12,12a,13,14-dodecahydro-7a-(hydroxymethyl)-4-methyl-1,5-dioxo-, methyl ester, (4R,6Z,7aR,8S,12aR,13R,14aR)- [ACD/Index Name]
Methyl (1R,3R,4R,10S,14R,16Z,18R)-18-(hydroxymethyl)-14-methyl-15,19-dioxo-12-azapentacyclo[10.6.1.11,4.07,20.010,18]icosa-7(20),16-diene-3-carboxylate [ACD/IUPAC Name]
Methyl-(1R,3R,4R,10S,14R,16Z,18R)-18-(hydroxymethyl)-14-methyl-15,19-dioxo-12-azapentacyclo[10.6.1.11,4.07,20.010,18]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: 601.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.7±6.0 kJ/mol
Flash Point: 317.8±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 105.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 9.97
ACD/KOC (pH 5.5): 180.46
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 9.97
ACD/KOC (pH 7.4): 180.46
Polar Surface Area: 84 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 302.2±5.0 cm3

Click to predict properties on the Chemicalize site


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