ChemSpider 2D Image | 5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, 1-chloro-13-[6-O-[2,4-dideoxy-4-(methylamino)-alpha-L-threo-pentopyranosyl]-4-O-methyl-beta-D-glucopyranosyl]-12,13-dihydro-6-methyl- | C34H35ClN4O9

5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, 1-chloro-13-[6-O-[2,4-dideoxy-4-(methylamino)-α-L-threo-pentopyranosyl]-4-O-methyl-β-D-glucopyranosyl]-12,13-dihydro-6-methyl-

  • Molecular FormulaC34H35ClN4O9
  • Average mass679.116 Da
  • Monoisotopic mass678.209229 Da
  • ChemSpider ID113615
  • 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, 1-chloro-13-[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]
102644-20-2 [RN]
5H-Indolo(2,3-a)pyrrolo(3,4-c)carbazole-5,7(6H)-dione, 1-chloro-13-(6-O-(2,4-dideoxy-4-(methylamino)pentopyranosyl)-4-O-methylhexopyranosyl)-12,13-dihydro-6-methyl-
5H-INDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7(6H)-DIONE,1-CHLORO-13-(6-O-(2,4-DIDEOXY-4-(METHYLAMINO)PENTOPYRANOSYL)- 4-O-METHYLHEXOPYRANOSYL)-12,13-DIHYDRO-6-METHYL- (ANTIBIOTICS,ANTINEOPLASTIC)
AT 2433-A1
AT2433-A1

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

Density: 1.7±0.1 g/cm3
Boiling Point: 909.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.5±3.0 kJ/mol
Flash Point: 503.6±34.3 °C
Index of Refraction: 1.772
Molar Refractivity: 166.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.98
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 5.79
ACD/KOC (pH 7.4): 41.71
Polar Surface Area: 168 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 67.5±7.0 dyne/cm
Molar Volume: 400.5±7.0 cm3

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