ChemSpider 2D Image | [(2S)-2,7-Diamino-1-hydroxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl]methyl carbamate | C14H16N4O5

[(2S)-2,7-Diamino-1-hydroxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl]methyl carbamate

  • Molecular FormulaC14H16N4O5
  • Average mass320.301 Da
  • Monoisotopic mass320.112061 Da
  • ChemSpider ID29790135

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

[(2S)-2,7-Diamino-1-hydroxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl]methyl carbamate [ACD/IUPAC Name]
[(2S)-2,7-Diamino-1-hydroxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl]methylcarbamat [German] [ACD/IUPAC Name]
1H-Pyrrolo[1,2-a]indole-5,8-dione, 2,7-diamino-9-[[(aminocarbonyl)oxy]methyl]-2,3-dihydro-1-hydroxy-6-methyl-, (2S)- [ACD/Index Name]
Carbamate de [(2S)-2,7-diamino-1-hydroxy-6-méthyl-5,8-dioxo-2,3,5,8-tétrahydro-1H-pyrrolo[1,2-a]indol-9-yl]méthyle [French] [ACD/IUPAC Name]
(2S)-2,7-Diamino-9-[[(aminocarbonyl)oxy]methyl]-2,3-dihydro-1-hydroxy-6-methyl-1H-pyrrolo[1,2-a]indole-5,8-dione;
1192552-64-9 [RN]
1-Hydroxy-2,7-diamino mitosene(mixture cis/trans)

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

Density: 1.9±0.1 g/cm3
Boiling Point: 560.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 293.0±30.1 °C
Index of Refraction: 1.827
Molar Refractivity: 73.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.34
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.29
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.78
Polar Surface Area: 164 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 91.4±7.0 dyne/cm
Molar Volume: 168.3±7.0 cm3

Click to predict properties on the Chemicalize site


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