ChemSpider 2D Image | 4-Methyl-2-oxo-2H-chromen-7-yl 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-erythro-hexopyranoside | C18H21NO11S

4-Methyl-2-oxo-2H-chromen-7-yl 2-acetamido-2-deoxy-6-O-sulfo-α-D-erythro-hexopyranoside

  • Molecular FormulaC18H21NO11S
  • Average mass459.424 Da
  • Monoisotopic mass459.083527 Da
  • ChemSpider ID71116719

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

2-Acétamido-2-désoxy-6-O-sulfo-α-D-érythro-hexopyranoside de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-2-deoxy-6-O-sulfo-α-D-erythro-hexopyranosyl]oxy]-4-methyl- [ACD/Index Name]
4-Methyl-2-oxo-2H-chromen-7-yl 2-acetamido-2-deoxy-6-O-sulfo-α-D-erythro-hexopyranoside [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-2-acetamido-2-desoxy-6-O-sulfo-α-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
153484-08-3 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -4.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 81.8±5.0 dyne/cm
Molar Volume: 281.4±5.0 cm3

Click to predict properties on the Chemicalize site


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