ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[(9S)-7,10-dibromo-1,3-dioxo-2,3,8,9-tetrahydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-9-yl]-4-O-methyl-D-glucitol | C27H21Br2N3O7

(1S)-1,5-Anhydro-1-[(9S)-7,10-dibromo-1,3-dioxo-2,3,8,9-tetrahydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-9-yl]-4-O-methyl-D-glucitol

  • Molecular FormulaC27H21Br2N3O7
  • Average mass659.279 Da
  • Monoisotopic mass656.974609 Da
  • ChemSpider ID116678

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[(9S)-7,10-dibrom-1,3-dioxo-2,3,8,9-tetrahydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-9-yl]-4-O-methyl-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(9S)-7,10-dibromo-1,3-dioxo-2,3,8,9-tetrahydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-9-yl]-4-O-methyl-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(9S)-7,10-dibromo-1,3-dioxo-2,3,8,9-tétrahydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-9-yl]-4-O-méthyl-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[(9S)-7,10-dibromo-2,3,8,9-tetrahydro-1,3-dioxo-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-9-yl]-4-O-methyl-, (1S)- [ACD/Index Name]
137605-02-8 [RN]
Bromorebeccamycin

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

Density: 2.2±0.1 g/cm3
Boiling Point: 761.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.5±6.0 kJ/mol
Flash Point: 414.5±35.7 °C
Index of Refraction: 1.887
Molar Refractivity: 140.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.13
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 150 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 82.7±7.0 dyne/cm
Molar Volume: 304.7±7.0 cm3

Click to predict properties on the Chemicalize site


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