ChemSpider 2D Image | [(8aR)-6-(2-Hydroxyethoxy)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate | C17H21N3O7

[(8aR)-6-(2-Hydroxyethoxy)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate

  • Molecular FormulaC17H21N3O7
  • Average mass379.365 Da
  • Monoisotopic mass379.137939 Da
  • ChemSpider ID23142656

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

[(8aR)-6-(2-Hydroxyethoxy)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate [ACD/IUPAC Name]
[(8aR)-6-(2-Hydroxyethoxy)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methylcarbamat [German] [ACD/IUPAC Name]
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6-(2-hydroxyethoxy)-8a-methoxy-5-methyl-, (8aR)- [ACD/Index Name]
Carbamate de [(8aR)-6-(2-hydroxyéthoxy)-8a-méthoxy-5-méthyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroaziréno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]méthyle [French] [ACD/IUPAC Name]
6-(2-hydroxyethoxy),8a-methoxy-5-methyl-4,7-dioxo-(8aR)-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-ylmethyl 1- aminoacetate
6-(2-hydroxyethoxy)-8a-methoxy-5-methyl-4,7-dioxo-(8aR)-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-ylmethyl oxycarbamoyl

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

Density: 1.5±0.1 g/cm3
Boiling Point: 649.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±6.0 kJ/mol
Flash Point: 346.4±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 89.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.91
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.82
Polar Surface Area: 150 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 245.9±5.0 cm3

Click to predict properties on the Chemicalize site


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