ChemSpider 2D Image | chitotriose | C18H35N3O13

chitotriose

  • Molecular FormulaC18H35N3O13
  • Average mass501.483 Da
  • Monoisotopic mass501.216980 Da
  • ChemSpider ID108813

  • defined stereocentres - 14 of 14 defined stereocentres

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

chitotriose
2-Amino-2-deoxy-β-D-glucopyranosyl-(1->4)-2-amino-2-deoxy-β-D-glucopyranosyl-(1->4)-2-amino-2-deoxy-D-glucose [ACD/IUPAC Name]
2-Amino-2-desoxy-β-D-glucopyranosyl-(1->4)-2-amino-2-desoxy-β-D-glucopyranosyl-(1->4)-2-amino-2-desoxy-D-glucose [German] [ACD/IUPAC Name]
2-Amino-2-désoxy-β-D-glucopyranosyl-(1->4)-2-amino-2-désoxy-β-D-glucopyranosyl-(1->4)-2-amino-2-désoxy-D-glucose [French] [ACD/IUPAC Name]
41708-93-4 [RN]
D-Glucose, O-2-amino-2-deoxy-β-D-glucopyranosyl-(1->4)-O-2-amino-2-deoxy-β-D-glucopyranosyl-(1->4)-2-amino-2-deoxy- [ACD/Index Name]
O-2-amino-2-deoxy-β-D-glucopyranosyl-(1->4)-O-2-amino-2-deoxy-β-D-glucopyranosyl-(1->4)-2-amino-2-deoxy-D-Glucose
O-2-amino-2-deoxy-β-δ-glucopyranosyl-(1->4)-O-2-amino-2-deoxy-β-δ-glucopyranosyl-(1->4)-2-amino-2-deoxy-δ-Glucose
(2R,3R,4R,5R)-2-amino-4-[(2R,3R,4R,5S,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-3,5,6-trihydroxy-hexanal
(2R,3R,4S,5R)-2-amino-4-{[(2S,3R,4R,5S,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}-3,5,6-trihydroxyhexanal
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 903.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.2±6.0 kJ/mol
Flash Point: 500.3±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 111.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 14
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.49
ACD/LogD (pH 5.5): -7.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 294 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 104.2±5.0 dyne/cm
Molar Volume: 306.5±5.0 cm3

Click to predict properties on the Chemicalize site


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