ChemSpider 2D Image | 4-nitrophenyl beta-sophoroside | C18H25NO13

4-nitrophenyl β-sophoroside

  • Molecular FormulaC18H25NO13
  • Average mass463.390 Da
  • Monoisotopic mass463.132599 Da
  • ChemSpider ID26324566

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
16790-33-3 [RN]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 4-nitrophényle [French] [ACD/IUPAC Name]
4-Nitrophenyl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-nitrophenyl β-sophoroside
4-Nitrophenyl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-nitrophenyl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
[16790-33-3] [RN]
4-Nitrophenyl 2-O-(b-D-glucopyranosyl)-b-D-glucopyranoside
4-Nitrophenyl 2-O-(β-D-glucopyranosyl)-β-D-glucopyranoside
More...
  • Miscellaneous

    • Chemical Class:

      A disaccharide derivative consisting of 4-nitrophenyl <stereo>beta</stereo>-<stereo>D</stereo>-glucoside having a <stereo>beta</stereo>-<stereo>D</stereo>-glucosyl residue attached at the 2-position. ChEBI CHEBI:62680
      A disaccharide derivative consisting of 4-nitrophenyl beta-D-glucoside having a beta-D-glucosyl residue attached at the 2-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62680
      The sophoroside derivative of 4-nitrophenol. ChEBI CHEBI:62680

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

Density: 1.7±0.1 g/cm3
Boiling Point: 795.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 435.0±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 101.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.93
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.93
Polar Surface Area: 224 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 100.9±5.0 dyne/cm
Molar Volume: 272.2±5.0 cm3

Click to predict properties on the Chemicalize site


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