ChemSpider 2D Image | 4-Nitrophenyl (5xi)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-xylo-hexopyranoside | C14H18N2O11S

4-Nitrophenyl (5ξ)-2-acetamido-2-deoxy-6-O-sulfo-β-D-xylo-hexopyranoside

  • Molecular FormulaC14H18N2O11S
  • Average mass422.365 Da
  • Monoisotopic mass422.063141 Da
  • ChemSpider ID29787623

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(5ξ)-2-Acétamido-2-désoxy-6-O-sulfo-β-D-xylo-hexopyranoside de 4-nitrophényle [French] [ACD/IUPAC Name]
4-Nitrophenyl (5ξ)-2-acetamido-2-deoxy-6-O-sulfo-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
4-Nitrophenyl-(5ξ)-2-acetamido-2-desoxy-6-O-sulfo-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
β-D-xylo-Hexopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-, 6-(hydrogen sulfate), (5ξ)- [ACD/Index Name]
210418-06-7 [RN]

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

210418-06-7,80095-44-9 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -4.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 86.3±5.0 dyne/cm
Molar Volume: 251.6±5.0 cm3

Click to predict properties on the Chemicalize site


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