ChemSpider 2D Image | D-Glucosaminide | C18H35N3O13

D-Glucosaminide

  • Molecular FormulaC18H35N3O13
  • Average mass501.483 Da
  • Monoisotopic mass501.216980 Da
  • ChemSpider ID389715

  • defined stereocentres - 13 of 15 defined stereocentres

More details:

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

D-Glucosaminide
2-Amino-2-deoxy-β-D-glucopyranosyl-(1->4)-(4ξ)-2-amino-2-deoxy-D-xylo-hexopyranosyl-(1->4)-2-amino-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
2-Amino-2-desoxy-β-D-glucopyranosyl-(1->4)-(4ξ)-2-amino-2-desoxy-D-xylo-hexopyranosyl-(1->;4)-2-amino-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Amino-2-désoxy-β-D-glucopyranosyl-(1->4)-(4ξ)-2-amino-2-désoxy-D-xylo-hexopyranosyl-(1->;4)-2-amino-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
78341-33-0 [RN]
β-D-Glucopyranose, O-2-amino-2-deoxy-β-D-glucopyranosyl-(1->4)-O(4ξ)-2-amino-2-deoxy-D-xylo-hexopyranosyl-(1->4)-2-amino-2-deoxy- [ACD/Index Name]
4,5-Dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxa
N-2-Yl]oxy-6-(hydroxymethyl)oxane-2,4-diol
(2R,3R,4R,5S,6R)-3-amino-5-{[(3R,4R,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,4-diol
(2R,3S,4R,5R,6S)-5-Amino-6-[(2R,4R,5R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

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

C05796 [DBID]
C06023 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 882.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.7±6.0 kJ/mol
Flash Point: 487.4±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 110.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 14
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.43
ACD/LogD (pH 5.5): -8.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 108.2±5.0 dyne/cm
Molar Volume: 297.4±5.0 cm3

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