ChemSpider 2D Image | 4-(N-Benzylsuccinimide-3-Sulfanyl)-N-(6-O-Beta-D-Xylopyranosyl-Beta-D-Glucopyranosyl)butylamidine | C26H37N3O11S

4-(N-Benzylsuccinimide-3-Sulfanyl)-N-(6-O-β-D-Xylopyranosyl-β-D-Glucopyranosyl)butylamidine

  • Molecular FormulaC26H37N3O11S
  • Average mass599.651 Da
  • Monoisotopic mass599.214905 Da
  • ChemSpider ID35034719

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-(N-Benzylsuccinimide-3-Sulfanyl)-N-(6-O-β-D-Xylopyranosyl-β-D-Glucopyranosyl)butylamidine
N-(4-{[(3R)-1-Benzyl-2,5-dioxo-3-pyrrolidinyl]sulfanyl}butanimidoyl)-6-O-β-D-xylopyranosyl-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-(4-{[(3R)-1-Benzyl-2,5-dioxo-3-pyrrolidinyl]sulfanyl}butanimidoyl)-6-O-β-D-xylopyranosyl-β-D-glucopyranosylamine [ACD/IUPAC Name]
N-(4-{[(3R)-1-Benzyl-2,5-dioxo-3-pyrrolidinyl]sulfanyl}butanimidoyl)-6-O-β-D-xylopyranosyl-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
β-D-Glucopyranosylamine, N-[4-[[(3R)-2,5-dioxo-1-(phenylmethyl)-3-pyrrolidinyl]thio]-1-iminobutyl]-6-O-β-D-xylopyranosyl- [ACD/Index Name]
ZPA

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

Density: 1.7±0.1 g/cm3
Boiling Point: 897.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.7±3.0 kJ/mol
Flash Point: 496.6±37.1 °C
Index of Refraction: 1.703
Molar Refractivity: 139.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -3.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 248 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 72.4±7.0 dyne/cm
Molar Volume: 360.8±7.0 cm3

Click to predict properties on the Chemicalize site


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