ChemSpider 2D Image | ascr#4 | C18H32O10

ascr#4

  • Molecular FormulaC18H32O10
  • Average mass408.441 Da
  • Monoisotopic mass408.199554 Da
  • ChemSpider ID31150599

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R)-5-Oxo-2-hexanyl 3,6-dideoxy-2-O-β-D-glucopyranosyl-α-L-arabino-hexopyranoside [ACD/IUPAC Name]
(2R)-5-Oxo-2-hexanyl-3,6-didesoxy-2-O-β-D-glucopyranosyl-α-L-arabino-hexopyranosid [German] [ACD/IUPAC Name]
1255514-32-9 [RN]
2-Hexanone, 5-[(3,6-dideoxy-2-O-β-D-glucopyranosyl-α-L-arabino-hexopyranosyl)oxy]-, (5R)- [ACD/Index Name]
3,6-Didésoxy-2-O-β-D-glucopyranosyl-α-L-arabino-hexopyranoside de (2R)-5-oxo-2-hexanyle [French] [ACD/IUPAC Name]
ascr#4
(-)-5R-(3'-O-[β-D-glucosyl]-3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2-hexanone
(2R)-5-oxohexan-2-yl 3,6-dideoxy-2-O-β-D-glucopyranosyl-α-L-arabino-hexopyranoside
5R-(3-O-β-D-glucosyl-3,6-dideoxy-α-L-arabino-hexopyranosyloxy)-2-henanone
  • Miscellaneous

    • Chemical Class:

      A hydroxy ketone ascaroside that is ascr#2 in which the hydroxy group at position 2 of the ascarylopyranose moiety has been converted to the corresponding <stereo>beta</stereo>-<stereo>D</stereo>-glu coside. A metabolite of the nematode <ital>Caenorhabditis elegans</ital>, it is only weakly dauer inducing, but synergises with ascr#2, ascr#3, and ascr#8 in male attraction. ChEBI CHEBI:78828
      A hydroxy ketone ascaroside that is ascr#2 in which the hydroxy group at position 2 of the ascarylopyranose moiety has been converted to the corresponding beta-D-glu; coside. A metabolite of the nema tode Caenorhabditis elegans, it is only weakly dauer inducing, but synergises with ascr#2, ascr#3, and ascr#8 in male attraction. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78828
      A hydroxy ketone ascaroside that is ascr#2 in which the hydroxy group at position 2 of the ascarylopyranose moiety has been converted to the corresponding beta-D-glucoside. A metabolite of the nemato de Caenorhabditis elegans, it is only weakly dauer inducing, but synergises with ascr#2, ascr#3, and ascr#8 in male attraction. ChEBI CHEBI:78828

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

Density: 1.4±0.1 g/cm3
Boiling Point: 632.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.1±6.0 kJ/mol
Flash Point: 220.6±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 95.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.39
ACD/LogD (pH 5.5): -2.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.88
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.88
Polar Surface Area: 155 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 301.6±5.0 cm3

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