ChemSpider 2D Image | 3-O-[(1S)-1-Carboxy-2-cyclohexylethyl]-beta-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->4)]-1,5-anhydro-2,6-dideoxy-6-[(3-phenylpropanoyl)amino]-D-arabino-hexitol | C36H55NO15

3-O-[(1S)-1-Carboxy-2-cyclohexylethyl]-β-D-galactopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->4)]-1,5-anhydro-2,6-dideoxy-6-[(3-phenylpropanoyl)amino]-D-arabino-hexitol

  • Molecular FormulaC36H55NO15
  • Average mass741.820 Da
  • Monoisotopic mass741.357178 Da
  • ChemSpider ID8780419

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

3-O-[(1S)-1-Carboxy-2-cyclohexylethyl]-β-D-galactopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->4)]-1,5-anhydro-2,6-dideoxy-6-[(3-phenylpropanoyl)amino]-D-arabino-hexitol [ACD/IUPAC Name]
3-O-[(1S)-1-Carboxy-2-cyclohexylethyl]-β-D-galactopyranosyl-(1->3)-[6-desoxy-α-L-galactopyranosyl-(1->4)]-1,5-anhydro-2,6-didesoxy-6-[(3-phenylpropanoyl)amino]-D-arabino-hexitol [German] [ACD/IUPAC Name]
3-O-[(1S)-1-Carboxy-2-cyclohexyléthyl]-β-D-galactopyranosyl-(1->3)-[6-désoxy-α-L-galactopyranosyl-(1->4)]-1,5-anhydro-2,6-didésoxy-6-[(3-phénylpropanoyl)amino]-D-arabino-hexitol [French] [ACD/IUPAC Name]
D-arabino-Hexitol, O-3-O-[(1S)-1-carboxy-2-cyclohexylethyl]-β-D-galactopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->4)]-1,5-anhydro-2,6-dideoxy-6-[(1-oxo-3-phenylpropyl)amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1002.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.2±3.0 kJ/mol
Flash Point: 560.1±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 182.3±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 3.47
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.74
ACD/LogD (pH 7.4): -1.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 243 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 528.5±5.0 cm3

Click to predict properties on the Chemicalize site


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