ChemSpider 2D Image | 5-Acetamido-3,5-dideoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2->6)hexopyranosyl-(1->4)-2-acetamido-2-deoxyhexopyranosyl-(1->3)hexopyranosyl-(1->4)hexose | C37H62N2O29

5-Acetamido-3,5-dideoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2->6)hexopyranosyl-(1->4)-2-acetamido-2-deoxyhexopyranosyl-(1->3)hexopyranosyl-(1->4)hexose

  • Molecular FormulaC37H62N2O29
  • Average mass998.884 Da
  • Monoisotopic mass998.343811 Da
  • ChemSpider ID3618994

More details:

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

5-Acetamido-3,5-dideoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2->6)hexopyranosyl-(1->4)-2-acetamido-2-deoxyhexopyranosyl-(1->3)hexopyranosyl-(1->4)hexose [ACD/IUPAC Name]
5-Acetamido-3,5-didesoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2->6)hexopyranosyl-(1->4)-2-acetamido-2-desoxyhexopyranosyl-(1->3)hexopyranosyl-(1->4)hexose [German] [ACD/IUPAC Name]
5-Acétamido-3,5-didésoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2->6)hexopyranosyl-(1->4)-2-acétamido-2-désoxyhexopyranosyl-(1->3)hexopyranosyl-(1->4)hexose [French] [ACD/IUPAC Name]
Hexose, O-5-(acetylamino)-3,5-dideoxy-2-nonulopyranonosyl-(2->6)-O-hexopyranosyl-(1->4)-O--2-(acetylamino)-2-deoxyhexopyranosyl-(1->3)-O-hexopyranosyl-(1->4)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1446.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 248.6±6.0 kJ/mol
Flash Point: 828.8±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 212.7±0.4 cm3
#H bond acceptors: 31
#H bond donors: 19
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -4.07
ACD/LogD (pH 5.5): -8.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 510 Å2
Polarizability: 84.3±0.5 10-24cm3
Surface Tension: 115.3±5.0 dyne/cm
Molar Volume: 572.1±5.0 cm3

Click to predict properties on the Chemicalize site


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