ChemSpider 2D Image | Butyl 2-O-(3-O-acetyl-2-O-butyryl-6-deoxy-4-O-isobutyryl-alpha-L-mannopyranosyl)-4,6-di-O-isobutyryl-beta-D-glucopyranoside | C34H56O15

Butyl 2-O-(3-O-acetyl-2-O-butyryl-6-deoxy-4-O-isobutyryl-α-L-mannopyranosyl)-4,6-di-O-isobutyryl-β-D-glucopyranoside

  • Molecular FormulaC34H56O15
  • Average mass704.799 Da
  • Monoisotopic mass704.361938 Da
  • ChemSpider ID115268881

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-O-(3-O-Acétyl-2-O-butyryl-6-désoxy-4-O-isobutyryl-α-L-mannopyranosyl)-4,6-di-O-isobutyryl-β-D-glucopyranoside de butyle [French] [ACD/IUPAC Name]
Butyl 2-O-(3-O-acetyl-2-O-butyryl-6-deoxy-4-O-isobutyryl-α-L-mannopyranosyl)-4,6-di-O-isobutyryl-β-D-glucopyranoside [ACD/IUPAC Name]
Butyl-2-O-(3-O-acetyl-2-O-butyryl-6-desoxy-4-O-isobutyryl-α-L-mannopyranosyl)-4,6-di-O-isobutyryl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, butyl 2-O-[3-O-acetyl-6-deoxy-4-O-(2-methyl-1-oxopropyl)-2-O-(1-oxobutyl)-α-L-mannopyranosyl]-, 4,6-bis(2-methylpropanoate) [ACD/Index Name]
Butyl 3'-O-acetyl-2'-O-butanoyl-4,6,4'-tri-O-(2-methylpropanoyl)-neohesperidoside

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

Density: 1.2±0.1 g/cm3
Boiling Point: 694.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.2±6.0 kJ/mol
Flash Point: 200.9±25.0 °C
Index of Refraction: 1.499
Molar Refractivity: 172.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 9220.87
ACD/KOC (pH 5.5): 23964.77
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9220.72
ACD/KOC (pH 7.4): 23964.41
Polar Surface Area: 189 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 588.5±5.0 cm3

Click to predict properties on the Chemicalize site


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