ChemSpider 2D Image | 4-O-Acetyl-3,6-di-O-benzyl-2-deoxy-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-beta-D-glucopyranosyl chloride | C30H28ClNO7

4-O-Acetyl-3,6-di-O-benzyl-2-deoxy-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-β-D-glucopyranosyl chloride

  • Molecular FormulaC30H28ClNO7
  • Average mass549.999 Da
  • Monoisotopic mass549.155457 Da
  • ChemSpider ID57523469
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

4-O-Acetyl-3,6-di-O-benzyl-2-deoxy-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-β-D-glucopyranosyl chloride [ACD/IUPAC Name]
4-O-Acetyl-3,6-di-O-benzyl-2-desoxy-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-β-D-glucopyranosylchlorid [German] [ACD/IUPAC Name]
Chlorure de 4-O-acétyl-3,6-di-O-benzyl-2-désoxy-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-β-D-glucopyranosyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosyl chloride, 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3,6-bis-O-(phenylmethyl)-, 4-acetate [ACD/Index Name]
4-O-Acetyl-3,6-di-O-benzyl-2-deoxy-2-phthalimido-α,β-glucopyranosyl chloride
89067-91-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 669.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.8±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 143.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5775.17
ACD/KOC (pH 5.5): 17144.30
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5775.17
ACD/KOC (pH 7.4): 17144.30
Polar Surface Area: 91 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 401.7±5.0 cm3

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