ChemSpider 2D Image | N-[(3S,4R,6S)-2-[(2S,4R,5S)-5-acetamido-6-[(2S,4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-5-[(3R,4S,6R)-3-acetamido-5-[(3R,4S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide | C40H67N5O26

N-[(3S,4R,6S)-2-[(2S,4R,5S)-5-acetamido-6-[(2S,4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-5-[(3R,4S,6R)-3-acetamido-5-[(3R,4S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide

  • Molecular FormulaC40H67N5O26
  • Average mass1033.978 Da
  • Monoisotopic mass1033.407471 Da
  • ChemSpider ID8367235

  • defined stereocentres - 15 of 25 defined stereocentres

More details:

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

(4ξ)-2-Acetamido-2-desoxy-D-ribo-hexopyranosyl-(1->4)-(4ξ)-2-acetamido-2-desoxy-D-ribo-hexopyranosyl-(1->4)-(4ξ)-2-acetamido-2-desoxy-L-ribo-hexopyranosyl-(1->4)-(4ξ)-2-acetamido-2-desoxy-L-ribo-h ; exopyranosyl-(1->4)-(4ξ)-2-acetamido-2-desoxy-L-ribo-hexopyranose [German] [ACD/IUPAC Name]
(4ξ)-2-Acétamido-2-désoxy-D-ribo-hexopyranosyl-(1->4)-(4ξ)-2-acétamido-2-désoxy-D-ribo-hexopyranosyl-(1->4)-(4ξ)-2-acétamido-2-désoxy-L-ribo-hexopyranosyl-(1->4)-(4ξ)-2-acétamido-2-désoxy-L-ribo-h ; exopyranosyl-(1->4)-(4ξ)-2-acétamido-2-désoxy-L-ribo-hexopyranose [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1496.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 258.8±6.0 kJ/mol
Flash Point: 859.0±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 229.4±0.4 cm3
#H bond acceptors: 31
#H bond donors: 17
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -4.27
ACD/LogD (pH 5.5): -5.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 471 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 93.2±5.0 dyne/cm
Molar Volume: 640.0±5.0 cm3

Click to predict properties on the Chemicalize site


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