ChemSpider 2D Image | blood group B trisaccharide b-O-p-trifluoroacetamidophenylethyl glycoside | C28H40F3NO16

blood group B trisaccharide b-O-p-trifluoroacetamidophenylethyl glycoside

  • Molecular FormulaC28H40F3NO16
  • Average mass703.609 Da
  • Monoisotopic mass703.229919 Da
  • ChemSpider ID27445360

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

Acetamide, N-[4-[2-[[O-6-deoxy-α-L-galactopyranosyl-(1->2)-O-[α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl]oxy]ethyl]phenyl]-2,2,2-trifluoro- [ACD/Index Name]
blood group B trisaccharide b-O-p-trifluoroacetamidophenylethyl glycoside
N-[4-(2-{[6-Deoxy-α-L-galactopyranosyl-(1->2)-[α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl]oxy}ethyl)phenyl]-2,2,2-trifluoroacetamide [ACD/IUPAC Name]
N-[4-(2-{[6-Desoxy-α-L-galactopyranosyl-(1->2)-[α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl]oxy}ethyl)phenyl]-2,2,2-trifluoracetamid [German] [ACD/IUPAC Name]
N-[4-(2-{[6-Désoxy-α-L-galactopyranosyl-(1->2)-[α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl]oxy}éthyl)phényl]-2,2,2-trifluoroacétamide [French] [ACD/IUPAC Name]
2-(p-trifluoroacetamidophenyl)ethyl 2-O-(??-l-fucopyranosyl)-3-O-(??-d-galactopyranosyl)-??-d-galactopyranoside
2-(p-trifluoroacetamidophenyl)ethyl 2-O-(a-l-fucopyranosyl)-3-O-(a-d-galactopyranosyl)-ß-d-galactopyranoside
B-TRI-SPACER

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

Density: 1.6±0.1 g/cm3
Boiling Point: 909.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.6±3.0 kJ/mol
Flash Point: 504.1±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.17
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.16
Polar Surface Area: 267 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 81.8±5.0 dyne/cm
Molar Volume: 431.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement