ChemSpider 2D Image | 5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, 12-[6-O-(4-amino-2,4-dideoxy-alpha-D-threo-pentopyranosyl)-4-O-methyl-beta-D-glucopyranosyl]-12,13-dihydro-6-methyl- | C33H34N4O9

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

  • Molecular FormulaC33H34N4O9
  • Average mass630.644 Da
  • Monoisotopic mass630.232605 Da
  • ChemSpider ID8569683

  • 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-(4-amino-2,4-dideoxy-α-D-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: 1.7±0.1 g/cm3
Boiling Point: 894.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.2±3.0 kJ/mol
Flash Point: 494.5±34.3 °C
Index of Refraction: 1.794
Molar Refractivity: 156.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.70
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.30
Polar Surface Area: 182 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 72.8±7.0 dyne/cm
Molar Volume: 368.2±7.0 cm3

Click to predict properties on the Chemicalize site


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