ChemSpider 2D Image | Methyl 3-{[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(benzyloxy)carbonyl]amino}propanoate | C26H34N2O13

Methyl 3-{[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(benzyloxy)carbonyl]amino}propanoate

  • Molecular FormulaC26H34N2O13
  • Average mass582.554 Da
  • Monoisotopic mass582.206116 Da
  • ChemSpider ID264998

More details:

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

3-{[3-Acétamido-4,5-diacétoxy-6-(acétoxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-2-{[(benzyloxy)carbonyl]amino}propanoate de méthyle [French] [ACD/IUPAC Name]
Hexopyranoside, 3-methoxy-3-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate [ACD/Index Name]
Methyl 3-{[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(benzyloxy)carbonyl]amino}propanoate [ACD/IUPAC Name]
Methyl-3-{[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(benzyloxy)carbonyl]amino}propanoat [German] [ACD/IUPAC Name]
25644-83-1 [RN]
Alanine, 3-[(2-acetamido-2-deoxy-β-D-glucopyranosyl)oxy]-N-carboxy-, N-benzyl methyl ester, 3',4',6'-triacetate, L-
L-Serine, N-[(phenylmethoxy)carbonyl]-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-, methyl ester
Methyl 2-([(benzyloxy)carbonyl]amino)-3-([3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxyhexopyranosyl]oxy)propanoate
METHYL 2-{[(BENZYLOXY)CARBONYL]AMINO}-3-{[4,5-BIS(ACETYLOXY)-6-[(ACETYLOXY)METHYL]-3-ACETAMIDOOXAN-2-YL]OXY}PROPANOATE
Methyl 3-({3-acetamido-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl}oxy)-2-{[(benzyloxy)carbonyl]amino}propanoate (non-preferred name)
More...

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

NSC173939 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 741.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 401.9±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.36
ACD/KOC (pH 5.5): 245.96
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.35
ACD/KOC (pH 7.4): 245.71
Polar Surface Area: 191 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 439.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement