ChemSpider 2D Image | 5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, 13-[6-O-(4-amino-2,4-dideoxy-alpha-L-threo-pentopyranosyl)-4-O-methyl-beta-D-glucopyranosyl]-1-chloro-12,13-dihydro-6-methyl- | C33H33ClN4O9

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

  • Molecular FormulaC33H33ClN4O9
  • Average mass665.089 Da
  • Monoisotopic mass664.193604 Da
  • ChemSpider ID113614

  • 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, 13-[6-O-(4-amino-2,4-dideoxy-α-L-threo-pentopyranosyl)-4-O-methyl-β-D-glucopyranosyl]-1-chloro-12,13-dihydro-6-methyl- [ACD/Index Name]
102644-19-9 [RN]
5H-Indolo(2,3-a)pyrrolo(3,4-c)carbazole-5,7(6H)-dione, 13-(6-O-(4-amino-2,4-dideoxypentopyranosyl)-4-O-methylhexopyranosyl)-1-chloro-12,13-dihydro-6-methyl-
5H-INDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7(6H)-DIONE,13-(6-O-(4-AMINO-2,4-DIDEOXYPENTOPYRANOSYL)-4-O- METHYLHEXOPYRANOSYL)-1-CHLORO-12,13-DIHYDRO-6-METHYL- (ANTIBIOTICS,ANTINEOPLASTIC)
AT 2433-A2
AT2433-A2

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

Density: 1.8±0.1 g/cm3
Boiling Point: 911.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.8±3.0 kJ/mol
Flash Point: 505.1±34.3 °C
Index of Refraction: 1.799
Molar Refractivity: 161.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.30
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 15.47
Polar Surface Area: 182 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 73.3±7.0 dyne/cm
Molar Volume: 377.4±7.0 cm3

Click to predict properties on the Chemicalize site


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