ChemSpider 2D Image | 2-Methyl-2-propanyl [({(2R,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamoyl)amino]acetate | C41H48N2O8

2-Methyl-2-propanyl [({(2R,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamoyl)amino]acetate

  • Molecular FormulaC41H48N2O8
  • Average mass696.828 Da
  • Monoisotopic mass696.341064 Da
  • ChemSpider ID9781991

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[({(2R,3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-[(benzyloxy)méthyl]tétrahydro-2H-pyran-2-yl}carbamoyl)amino]acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [({(2R,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamoyl)amino]acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[({(2R,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamoyl)amino]acetat [German] [ACD/IUPAC Name]
β-D-Glucopyranosylamine, N-[[[2-(1,1-dimethylethoxy)-2-oxoethyl]amino]carbonyl]-2,3,4,6-tetrakis-O-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 811.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 444.3±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 195.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 9.63
ACD/LogD (pH 5.5): 7.97
ACD/BCF (pH 5.5): 670868.31
ACD/KOC (pH 5.5): 515553.91
ACD/LogD (pH 7.4): 7.97
ACD/BCF (pH 7.4): 669549.63
ACD/KOC (pH 7.4): 514540.53
Polar Surface Area: 114 Å2
Polarizability: 77.5±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 571.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement