ChemSpider 2D Image | biotinylated alpha-gal | C39H67N5O19S

biotinylated α-gal

  • Molecular FormulaC39H67N5O19S
  • Average mass942.036 Da
  • Monoisotopic mass941.415100 Da
  • ChemSpider ID34448563

  • defined stereocentres - 17 of 18 defined stereocentres

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[6-[[3-[[O-α-D-galactopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->;4)-2-(acetylamino)-2-deoxy-D-glucopyranosyl]oxy]propyl]amino]-6-oxohexyl]hexahydro-2 -oxo-, (3aS,4S,6aR)- [ACD/Index Name]
biotinylated α-gal
N-(3-{[α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranosyl]oxy}propyl)-6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino) hexanamide [ACD/IUPAC Name]
N-(3-{[α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-D-glucopyranosyl]oxy}propyl)-6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino )hexanamid [German] [ACD/IUPAC Name]
N-(3-{[α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-D-glucopyranosyl]oxy}propyl)-6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanoyl}amino )hexanamide [French] [ACD/IUPAC Name]
biotinylated α-galiotinylated α-gal
Hexanamide [ACD/Index Name] [ACD/IUPAC Name]
N-(3-{[α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranosyl]oxy}propyl)-6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)
N-(3-{[α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranosyl]oxy}propyl)-6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1335.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 226.5±6.0 kJ/mol
Flash Point: 761.3±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 223.0±0.4 cm3
#H bond acceptors: 24
#H bond donors: 14
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: -4.26
ACD/LogD (pH 5.5): -3.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 391 Å2
Polarizability: 88.4±0.5 10-24cm3
Surface Tension: 83.4±5.0 dyne/cm
Molar Volume: 628.0±5.0 cm3

Click to predict properties on the Chemicalize site


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