ChemSpider 2D Image | N-(4-Benzoylphenyl)-2-[(2,3,4,6-tetra-O-acetyl-5-thiohexopyranosyl)oxy]acetamide | C29H31NO11S

N-(4-Benzoylphenyl)-2-[(2,3,4,6-tetra-O-acetyl-5-thiohexopyranosyl)oxy]acetamide

  • Molecular FormulaC29H31NO11S
  • Average mass601.622 Da
  • Monoisotopic mass601.161804 Da
  • ChemSpider ID470532

More details:

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

Acetamide, N-(4-benzoylphenyl)-2-[(2,3,4,6-tetra-O-acetyl-5-thiohexopyranosyl)oxy]- [ACD/Index Name]
N-(4-Benzoylphenyl)-2-[(2,3,4,6-tetra-O-acetyl-5-thiohexopyranosyl)oxy]acetamid [German] [ACD/IUPAC Name]
N-(4-Benzoylphényl)-2-[(2,3,4,6-tétra-O-acétyl-5-thiohexopyranosyl)oxy]acétamide [French] [ACD/IUPAC Name]
N-(4-Benzoylphenyl)-2-[(2,3,4,6-tetra-O-acetyl-5-thiohexopyranosyl)oxy]acetamide [ACD/IUPAC Name]
(4-Benzoylphenyl)aminocarbonylmethyl 2,3,4,6-tetra-O-acetyl-1-thio-α-D-glucopyranoside
2,3,4,6-Tetra-O-acetyl-(4-acetamidobenzophenone)-1-thio-α-D-glucopyranoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 720.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.5±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 149.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 482.46
ACD/KOC (pH 5.5): 2900.17
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 482.46
ACD/KOC (pH 7.4): 2900.16
Polar Surface Area: 186 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 442.4±5.0 cm3

Click to predict properties on the Chemicalize site


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