ChemSpider 2D Image | Ethyl (2S)-3-[(3aS,4R,6R,6aS)-6-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-nitro-3-[(2R)-tetrahydro-2H-pyran-2-yloxy]propanoate | C23H41NO10Si

Ethyl (2S)-3-[(3aS,4R,6R,6aS)-6-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-nitro-3-[(2R)-tetrahydro-2H-pyran-2-yloxy]propanoate

  • Molecular FormulaC23H41NO10Si
  • Average mass519.658 Da
  • Monoisotopic mass519.250000 Da
  • ChemSpider ID24740397

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S)-3-[(3aS,4R,6R,6aS)-6-{[Diméthyl(2-méthyl-2-propanyl)silyl]oxy}-2,2-diméthyltétrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-nitro-3-[(2R)-tétrahydro-2H-pyran-2-yloxy]propanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (2S)-3-[(3aS,4R,6R,6aS)-6-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-nitro-3-[(2R)-tetrahydro-2H-pyran-2-yloxy]propanoate [ACD/IUPAC Name]
Ethyl-(2S)-3-[(3aS,4R,6R,6aS)-6-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-nitro-3-[(2R)-tetrahydro-2H-pyran-2-yloxy]propanoat [German] [ACD/IUPAC Name]
α-D-manno-Heptofuranuronic acid, 6-deoxy-1-O-[(1,1-dimethylethyl)dimethylsilyl]-2,3-O-(1-methylethylidene)-6-nitro-5-O-[(2R)-tetrahydro-2H-pyran-2-yl]-, ethyl ester [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: 571.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 299.2±30.1 °C
Index of Refraction: 1.499
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 533.97
ACD/KOC (pH 5.5): 1167.72
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 59.75
ACD/KOC (pH 7.4): 130.67
Polar Surface Area: 128 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 440.8±5.0 cm3

Click to predict properties on the Chemicalize site


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