ChemSpider 2D Image | 5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]hex-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->4)-[6-deoxyhexopyranosyl-(1->3)]-2-acetamido-2-deoxyhexopyranose | C31H52N2O23

5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]hex-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->4)-[6-deoxyhexopyranosyl-(1->3)]-2-acetamido-2-deoxyhexopyranose

  • Molecular FormulaC31H52N2O23
  • Average mass820.744 Da
  • Monoisotopic mass820.296082 Da
  • ChemSpider ID8051500

  • defined stereocentres - 2 of 21 defined stereocentres

More details:

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

5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]hex-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->4)-[6-deoxyhexopyranosyl-(1->3)]-2-acetamido-2-deoxyhexopyranose [ACD/IUPAC Name]
5-Acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]hex-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->4)-[6-desoxyhexopyranosyl-(1->3)]-2-acetamido-2-desoxyhexopyranose [German] [ACD/IUPAC Name]
5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]hex-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->4)-[6-désoxyhexopyranosyl-(1->3)]-2-acétamido-2-désoxyhexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, O-5-(acetylamino)-3,5-dideoxy-D-erythro-2-nonulopyranonosyl-(2->3)-O-hexopyranosyl-(1->4)-O-[6-deoxyhexopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
5-(acetylamino)-3,5-dideoxy-D-erythro-non-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->4)-[6-deoxyhexopyranosyl-(1->3)]-2-(acetylamino)-2-deoxyhexopyranose
5-Acetylamino-2-[[2-(5-acetylamino-4,6-dihydroxy-2-hydroxymethyl-tetrahydro-pyran-3-yloxy)-3,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy]-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)]-4-hydroxy-6-(1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid
5-Acetylamino-2-{2-[5-acetylamino-2-hydroxy-4-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yloxy]-3,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy}-4-hydroxy-6-(1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid
98603-84-0 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1279.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 215.8±6.0 kJ/mol
Flash Point: 727.7±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 176.8±0.4 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -2.07
ACD/LogD (pH 5.5): -6.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 403 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 104.9±5.0 dyne/cm
Molar Volume: 482.9±5.0 cm3

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