ChemSpider 2D Image | Methyl 4,6-dideoxy-2-O-{4,6-dideoxy-4-[(2,4-dihydroxybutanoyl)amino]-2-O-methylhexopyranosyl}-4-[(2,4-dihydroxybutanoyl)amino]hexopyranoside | C22H40N2O13

Methyl 4,6-dideoxy-2-O-{4,6-dideoxy-4-[(2,4-dihydroxybutanoyl)amino]-2-O-methylhexopyranosyl}-4-[(2,4-dihydroxybutanoyl)amino]hexopyranoside

  • Molecular FormulaC22H40N2O13
  • Average mass540.559 Da
  • Monoisotopic mass540.253052 Da
  • ChemSpider ID3676633

More details:

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

4,6-Didésoxy-2-O-{4,6-didésoxy-4-[(2,4-dihydroxybutanoyl)amino]-2-O-méthylhexopyranosyl}-4-[(2,4-dihydroxybutanoyl)amino]hexopyranoside de méthyle [French] [ACD/IUPAC Name]
Hexopyranoside, methyl 4,6-dideoxy-2-O-[4,6-dideoxy-4-[(2,4-dihydroxy-1-oxobutyl)amino]-2-O-methylhexopyranosyl]-4-[(2,4-dihydroxy-1-oxobutyl)amino]- [ACD/Index Name]
Methyl 4,6-dideoxy-2-O-{4,6-dideoxy-4-[(2,4-dihydroxybutanoyl)amino]-2-O-methylhexopyranosyl}-4-[(2,4-dihydroxybutanoyl)amino]hexopyranoside [ACD/IUPAC Name]
Methyl-4,6-didesoxy-2-O-{4,6-didesoxy-4-[(2,4-dihydroxybutanoyl)amino]-2-O-methylhexopyranosyl}-4-[(2,4-dihydroxybutanoyl)amino]hexopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 904.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.3±6.0 kJ/mol
Flash Point: 500.9±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 125.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.09
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.09
Polar Surface Area: 226 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 382.2±5.0 cm3

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