ChemSpider 2D Image | BMS-250749 | C26H18F3N3O6

BMS-250749

  • Molecular FormulaC26H18F3N3O6
  • Average mass525.433 Da
  • Monoisotopic mass525.114746 Da
  • ChemSpider ID8003970

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

12-(4-Deoxy-4-fluoro-β-D-glucopyranosyl)-3,9-difluoro-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione [ACD/IUPAC Name]
12-(4-Désoxy-4-fluoro-β-D-glucopyranosyl)-3,9-difluoro-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione [French] [ACD/IUPAC Name]
12-(4-Desoxy-4-fluor-β-D-glucopyranosyl)-3,9-difluor-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5,7(6H)-dion [German] [ACD/IUPAC Name]
406913-72-2 [RN]
5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, 12-(4-deoxy-4-fluoro-β-D-glucopyranosyl)-3,9-difluoro-12,13-dihydro- [ACD/Index Name]
BMS-250749
HU1KU33PO9
5H-Indolo(2,3-a)pyrrolo(3,4-C)carbazole-5,7(6H)-dione, 12-(4-deoxy-4-fluoro-β-D-glucopyranosyl)-3,9-difluoro-12,13-dihydro-
7,19-difluoro-3-[(2R,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
UNII:HU1KU33PO9
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.831
Molar Refractivity: 119.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.38
ACD/KOC (pH 5.5): 623.80
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.90
ACD/KOC (pH 7.4): 618.52
Polar Surface Area: 137 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 72.8±7.0 dyne/cm
Molar Volume: 272.7±7.0 cm3

Click to predict properties on the Chemicalize site


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