ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose | C24H41N3O16

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose

  • Molecular FormulaC24H41N3O16
  • Average mass627.593 Da
  • Monoisotopic mass627.248657 Da
  • ChemSpider ID9105435

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-2-acétamido-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
??-D-GlcNAc-(1->4)-??-D-GlcNAc-(1->4)-?-D-GlcNAc
?-D-GlcNAc-(1->4)-?-D-GlcNAc-(1->4)-D-GlcNAc
N,N',N''-triacetylchitotriose
2706-65-2 [RN]
2-acetamido-2-deoxy-?-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-?-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucose
2-Acetamido-4-O-[2-acetamido-4-O-(2-acetamido-2-deoxy-b-D-glucopyranosyl)-2-deoxy-b-D-glucopyranosyl]-2-deoxy-D-glucopyranose
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

T2144_SIGMA [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 1139.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 189.9±6.0 kJ/mol
Flash Point: 643.2±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.64
ACD/LogD (pH 5.5): -3.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 295 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 87.4±5.0 dyne/cm
Molar Volume: 395.9±5.0 cm3

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