ChemSpider 2D Image | Methyl 6-O-acetyl-3-O-benzyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-alpha-D-glucopyranoside | C24H29NO8

Methyl 6-O-acetyl-3-O-benzyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-α-D-glucopyranoside

  • Molecular FormulaC24H29NO8
  • Average mass459.489 Da
  • Monoisotopic mass459.189331 Da
  • ChemSpider ID30649265

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

114869-95-3 [RN]
6-O-Acétyl-3-O-benzyl-2-{[(benzyloxy)carbonyl]amino}-2-désoxy-α-D-glucopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 6-O-acetyl-3-O-benzyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
Methyl-6-O-acetyl-3-O-benzyl-2-{[(benzyloxy)carbonyl]amino}-2-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetate [ACD/Index Name]
((2R,3S,4R,5R,6S)-4-(Benzyloxy)-5-(((benzyloxy)carbonyl)amino)-3-hydroxy-6-methoxytetrahydro-2H-pyran-2-yl)methyl acetate
a-D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetat
a-D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetate
Methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-α-D-glucopyranoside 6-acetate
Methyl 6-O-acetyl-3-O-benzyl-2-benzyloxycarbonylamino-2-deoxy-a-D-glucopyranose
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 625.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 332.0±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 229.63
ACD/KOC (pH 5.5): 1704.60
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 229.23
ACD/KOC (pH 7.4): 1701.68
Polar Surface Area: 113 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 359.0±5.0 cm3

Click to predict properties on the Chemicalize site


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