ChemSpider 2D Image | 5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, 12-[6-O-[2,4-dideoxy-4-(methylamino)-alpha-L-threo-pentopyranosyl]-4-O-methyl-beta-D-glucopyranosyl]-12,13-dihydro-6-methyl- | C34H36N4O9

5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, 12-[6-O-[2,4-dideoxy-4-(methylamino)-α-L-threo-pentopyranosyl]-4-O-methyl-β-D-glucopyranosyl]-12,13-dihydro-6-methyl-

  • Molecular FormulaC34H36N4O9
  • Average mass644.671 Da
  • Monoisotopic mass644.248230 Da
  • ChemSpider ID9105525

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, 12-[6-O-[2,4-dideoxy-4-(methylamino)-α-L-threo-pentopyranosyl]-4-O-methyl-β-D-glucopyranosyl]-12,13-dihydro-6-methyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 891.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.8±3.0 kJ/mol
Flash Point: 493.1±34.3 °C
Index of Refraction: 1.767
Molar Refractivity: 162.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.92
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 16.78
Polar Surface Area: 168 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 66.9±7.0 dyne/cm
Molar Volume: 391.2±7.0 cm3

Click to predict properties on the Chemicalize site


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