ChemSpider 2D Image | 3-Aminopropyl 6-deoxy-4-O-methyl-alpha-L-mannopyranosyl-(1->4)-6-deoxy-2-O-methyl-alpha-L-galactopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-alpha-L-talopyranoside | C29H53NO17

3-Aminopropyl 6-deoxy-4-O-methyl-α-L-mannopyranosyl-(1->4)-6-deoxy-2-O-methyl-α-L-galactopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-α-L-talopyranoside

  • Molecular FormulaC29H53NO17
  • Average mass687.728 Da
  • Monoisotopic mass687.331360 Da
  • ChemSpider ID166996
  • defined stereocentres - 20 of 20 defined stereocentres


More details:






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

3-Aminopropyl 6-deoxy-4-O-methyl-α-L-mannopyranosyl-(1->4)-6-deoxy-2-O-methyl-α-L-galactopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-α-L-talopyranoside [ACD/IUPAC Name]
3-Aminopropyl-6-desoxy-4-O-methyl-α-L-mannopyranosyl-(1->4)-6-desoxy-2-O-methyl-α-L-galactopyranosyl-(1->3)-6-desoxy-α-L-mannopyranosyl-(1->2)-6-desoxy-α-L-talopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-4-O-méthyl-α-L-mannopyranosyl-(1->4)-6-désoxy-2-O-méthyl-α-L-galactopyranosyl-(1->3)-6-désoxy-α-L-mannopyranosyl-(1->2)-6-désoxy-α-L-talopyranoside de 3-aminopropyle [French] [ACD/IUPAC Name]
α-L-Talopyranoside, 3-aminopropyl O-6-deoxy-4-O-methyl-α-L-mannopyranosyl-(1->4)-O-6-deoxy-2-O-methyl-α-L-galactopyranosyl-(1->3)-O-6-deoxy-α-L-mannopyranosyl-(1->;2)-6-deoxy- [ACD/Index Name]
148404-60-8 [RN]
3-Aminopropyl 6-deoxy-2-O-(3-O-(2-O-methyl-(4-O-methylrhamnopyranosyl)fucopyranosyl)rhamnopyranosyl)talopyranoside
3NP-Mmrfrt

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

Density: 1.4±0.1 g/cm3
Boiling Point: 875.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.6±6.0 kJ/mol
Flash Point: 483.5±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -4.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 260 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 483.8±5.0 cm3

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