ChemSpider 2D Image | Grandilodine C | C21H20N2O5

Grandilodine C

  • Molecular FormulaC21H20N2O5
  • Average mass380.394 Da
  • Monoisotopic mass380.137207 Da
  • ChemSpider ID26630846
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1R,9R,12R,21R)-15,20-Dioxo-19-oxa-8,16-diazahexacyclo[10.6.4.01,9.02,7.09,21.012,16]docosa-2,4,6,13-tétraène-8-carboxylate de méthyle [French] [ACD/IUPAC Name]
11H-6a,12-(Epoxymethano)-11a,13a-ethano-3H-pyrrolo[1',2':1,8]azocino[5,4-b]indole-11-carboxylic acid, 5,6,12,13-tetrahydro-3,16-dioxo-, methyl ester, (6aR,11aR,12R,13aR)- [ACD/Index Name]
Grandilodine C
Methyl (1R,9R,12R,21R)-15,20-dioxo-19-oxa-8,16-diazahexacyclo[10.6.4.01,9.02,7.09,21.012,16]docosa-2,4,6,13-tetraene-8-carboxylate [ACD/IUPAC Name]
Methyl-(1R,9R,12R,21R)-15,20-dioxo-19-oxa-8,16-diazahexacyclo[10.6.4.01,9.02,7.09,21.012,16]docosa-2,4,6,13-tetraen-8-carboxylat [German] [ACD/IUPAC Name]
Methyl (1R,9R,12R,21R)-15,20-dioxo-19-oxa-8,16-diazahexacyclo[10.6.4.0[1,9].0[2,7].0[9,21].0[12,16]]docosa-2,4,6,13-tetraene-8-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 669.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.6±31.5 °C
Index of Refraction: 1.701
Molar Refractivity: 97.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.17
ACD/KOC (pH 5.5): 266.40
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.17
ACD/KOC (pH 7.4): 266.40
Polar Surface Area: 76 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 251.9±5.0 cm3

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