Found 1 result

Search term: 132413-50-4 (Found by approved synonym)
ChemSpider 2D Image | BGITC | C35H27NO9S

BGITC

  • Molecular FormulaC35H27NO9S
  • Average mass637.655 Da
  • Monoisotopic mass637.140625 Da
  • ChemSpider ID10140647

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3R,4S,5R,6R)-2-((Benzoyloxy)methyl)-6-isothiocyanatotetrahydro-2H-pyran-3,4,5-triyl tribenzoate
132413-50-4 [RN]
2,3,4,6-Tetra-O-benzoyl-b-D-glucopyranosyl isothiocyanate
2,3,4,6-Tetra-O-benzoyl-N-(thioxomethylen)-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
2,3,4,6-Tetra-O-benzoyl-N-(thioxomethylene)-β-D-glucopyranosylamine [ACD/IUPAC Name]
2,3,4,6-Tétra-O-benzoyl-N-(thioxométhylène)-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
BGITC
MFCD00075064
β-D-Glucopyranosylamine, N-carbonothioyl-, 2,3,4,6-tetrabenzoate [ACD/Index Name]
[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-isothiocyanatooxan-2-yl]methyl benzoate
More...

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

6692862 [DBID]
335622_ALDRICH [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 775.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 422.7±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 171.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 10.55
ACD/LogD (pH 5.5): 8.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1281865.50
ACD/LogD (pH 7.4): 8.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1281865.50
Polar Surface Area: 159 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 487.2±7.0 cm3

Click to predict properties on the Chemicalize site


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