ChemSpider 2D Image | N-benzyloxycarbonylaminoethyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-beta-D-glucopyranoside | C22H34N2O8

N-benzyloxycarbonylaminoethyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucopyranoside

  • Molecular FormulaC22H34N2O8
  • Average mass454.514 Da
  • Monoisotopic mass454.231506 Da
  • ChemSpider ID26332107

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[2-({4,6-Didésoxy-4-[(3-hydroxy-3-méthylbutanoyl)amino]-2-O-méthyl-α-D-glucopyranosyl}oxy)éthyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [2-({4,6-dideoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-α-D-glucopyranosyl}oxy)ethyl]carbamate [ACD/IUPAC Name]
Benzyl-[2-({4,6-didesoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-α-D-glucopyranosyl}oxy)ethyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[4,6-dideoxy-4-[(3-hydroxy-3-methyl-1-oxobutyl)amino]-2-O-methyl-α-D-glucopyranosyl]oxy]ethyl]-, phenylmethyl ester [ACD/Index Name]
N-benzyloxycarbonylaminoethyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucopyranoside
N-benzyloxycarbonylaminoethyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucoside

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

Density: 1.2±0.1 g/cm3
Boiling Point: 697.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.4±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 116.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.63
ACD/KOC (pH 5.5): 87.50
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.63
ACD/KOC (pH 7.4): 87.50
Polar Surface Area: 136 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 364.1±5.0 cm3

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