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Search term: HJRGODZIIOLZRT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Nitrophenyl beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranoside | C21H29NO15

4-Nitrophenyl β-D-xylopyranosyl-(1->4)-β-D-xylopyranosyl-(1->4)-β-D-xylopyranoside

  • Molecular FormulaC21H29NO15
  • Average mass535.453 Da
  • Monoisotopic mass535.153748 Da
  • ChemSpider ID9561978

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

4-Nitrophenyl β-D-xylopyranosyl-(1->;4)-β-D-xylopyranosyl-(1->4)-β-D-xylopyranoside [ACD/IUPAC Name]
4-Nitrophenyl-β-D-xylopyranosyl-(1->;4)-β-D-xylopyranosyl-(1->4)-β-D-xylopyranosid [German] [ACD/IUPAC Name]
β-D-Xylopyranoside, 4-nitrophenyl O-β-D-xylopyranosyl-(1->4)-O-β-D-xylopyranosyl-(1->4)- [ACD/Index Name]
β-D-Xylopyranosyl-(1->4)-β-D-xylopyranosyl-(1->4)-β-D-xylopyranoside de 4-nitrophényle [French] [ACD/IUPAC Name]
173468-29-6 [RN]
4-?nitrophenyl O-??-?D-?xylopyranosyl-?(1?4)?-?O-??-?D-?xylopyranosyl-?(1?4)?-?-?D-?Xylopyranoside
4-Nitrophenyl-?-xylotrioside
p-?nitrophenyl O-??-?D-?xylopyranosyl-?(1?4)?-?O-??-?D-?xylopyranosyl-?(1?4)?-?-?D-?Xylopyranoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 849.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 467.2±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -1.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.38
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.38
Polar Surface Area: 243 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 97.8±5.0 dyne/cm
Molar Volume: 314.8±5.0 cm3

Click to predict properties on the Chemicalize site


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