ChemSpider 2D Image | METHYLUMBELLIFERYL CHITOTRIOSE | C34H47N3O18

METHYLUMBELLIFERYL CHITOTRIOSE

  • Molecular FormulaC34H47N3O18
  • Average mass785.746 Da
  • Monoisotopic mass785.285461 Da
  • ChemSpider ID26330251

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-Acétamido-2-désoxy-α-L-glucopyranosyl-(1->4)-2-acétamido-2-désoxy-α-L-idopyranosyl-(1->4)-2-acétamido-2-désoxy-α-L-idopyranoside de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 7-[[O-2-(acetylamino)-2-deoxy-α-L-glucopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-α-L-idopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-α-L-idopyranosyl]oxy]-4-methyl- [ACD/Index Name]
4-Methyl-2-oxo-2H-chromen-7-yl 2-acetamido-2-deoxy-α-L-glucopyranosyl-(1->;4)-2-acetamido-2-deoxy-α-L-idopyranosyl-(1->4)-2-acetamido-2-deoxy-α-L-idopyranoside [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-2-acetamido-2-desoxy-α-L-glucopyranosyl-(1->4)-2-acetamido-2-desoxy-α-L-idopyranosyl-(1->4)-2-acetamido-2-desoxy-α-L-idopyranosid [German] [ACD/IUPAC Name]
METHYLUMBELLIFERYL CHITOTRIOSE
N-[(2S,3S,4S,5R,6S)-2-{[(2S,3S,4R,5R,6S)-5-acetamido-6-{[(2S,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-
N-[(2S,3S,4S,5R,6S)-2-{[(2S,3S,4R,5R,6S)-5-acetamido-6-{[(2S,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1211.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 188.5±3.0 kJ/mol
Flash Point: 686.6±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 181.9±0.4 cm3
#H bond acceptors: 21
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.91
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.80
Polar Surface Area: 311 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 84.6±5.0 dyne/cm
Molar Volume: 502.6±5.0 cm3

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