Found 1 result

Search term: XKNYFHSUBJVWQX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | cleistanthin D | C29H30O11

cleistanthin D

  • Molecular FormulaC29H30O11
  • Average mass554.542 Da
  • Monoisotopic mass554.178833 Da
  • ChemSpider ID34448998

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,3,5-Tri-O-méthyl-β-D-xylofuranoside de 9-(1,3-benzodioxol-5-yl)-6,7-diméthoxy-1-oxo-1,3-dihydronaphto[2,3-c]furan-4-yle [French] [ACD/IUPAC Name]
9-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl 2,3,5-tri-O-methyl-β-D-xylofuranoside [ACD/IUPAC Name]
9-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl-2,3,5-tri-O-methyl-β-D-xylofuranosid [German] [ACD/IUPAC Name]
cleistanthin D
Naphtho[2,3-c]furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2,3,5-tri-O-methyl-β-D-xylofuranosyl)oxy]- [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      A member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-<element>O</element>-methyl-<stereo>D</stereo>-xylopyranosyl group is replaced by a 2,3,4-tri-<element>O</element>-met hyl-<stereo>D</stereo>-xylofuranosyl group. ChEBI CHEBI:84409
      A member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-O-methyl-D-xylopyranosyl group is replaced by a 2,3,4-tri-O-met; hyl-D-xylofuranosyl group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84409
      A member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-O-methyl-D-xylopyranosyl group is replaced by a 2,3,4-tri-O-methyl-D-xylofuranosyl group. ChEBI CHEBI:84409

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

Density: 1.4±0.1 g/cm3
Boiling Point: 746.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 314.3±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.10
ACD/KOC (pH 5.5): 967.64
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.10
ACD/KOC (pH 7.4): 967.64
Polar Surface Area: 109 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 394.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement