ChemSpider 2D Image | Phenyl 3-O-benzyl-6-deoxy-4-O-methyl-6-{[(2S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoyl]amino}-beta-D-glucopyranoside | C30H42N2O8

Phenyl 3-O-benzyl-6-deoxy-4-O-methyl-6-{[(2S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoyl]amino}-β-D-glucopyranoside

  • Molecular FormulaC30H42N2O8
  • Average mass558.663 Da
  • Monoisotopic mass558.294128 Da
  • ChemSpider ID2281648

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

3-O-Benzyl-6-désoxy-4-O-méthyl-6-{[(2S)-3-méthyl-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butanoyl]amino}-β-D-glucopyranoside de phényle [French] [ACD/IUPAC Name]
Phenyl 3-O-benzyl-6-deoxy-4-O-methyl-6-{[(2S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoyl]amino}-β-D-glucopyranoside [ACD/IUPAC Name]
Phenyl-3-O-benzyl-6-desoxy-4-O-methyl-6-{[(2S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoyl]amino}-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, phenyl 6-deoxy-6-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-1-oxobutyl]amino]-4-O-methyl-3-O-(phenylmethyl)- [ACD/Index Name]
β-D-Glucopyranoside, phenyl 6-deoxy-6-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-1-oxobutyl]amino]-4-O-methyl-3-O-(phenylmethyl)-

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

AIDS221568 [DBID]
AIDS-221568 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 724.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.8±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1471.42
ACD/KOC (pH 5.5): 6442.64
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1471.06
ACD/KOC (pH 7.4): 6441.07
Polar Surface Area: 125 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 464.5±5.0 cm3

Click to predict properties on the Chemicalize site


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