ChemSpider 2D Image | cyclic dehypoxanthinylfutalosine | C14H14O7

cyclic dehypoxanthinylfutalosine

  • Molecular FormulaC14H14O7
  • Average mass294.257 Da
  • Monoisotopic mass294.073944 Da
  • ChemSpider ID27471422

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R,3S,4R)-3,4,5-Trihydroxy-4'-oxo-3',4,4',5-tetrahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-6'-carbonsäure [German] [ACD/IUPAC Name]
(2R,3S,4R)-3,4,5-Trihydroxy-4'-oxo-3',4,4',5-tetrahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-6'-carboxylic acid [ACD/IUPAC Name]
Acide (2R,3S,4R)-3,4,5-trihydroxy-4'-oxo-3',4,4',5-tétrahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-6'-carboxylique [French] [ACD/IUPAC Name]
cyclic dehypoxanthinylfutalosine
Spiro[furan-2(3H),1'(2'H)-naphthalene]-6'-carboxylic acid, 3',4,4',5-tetrahydro-3,4,5-trihydroxy-4'-oxo-, (2R,3S,4R)- [ACD/Index Name]
cyclic dehypoxanthine futalosine
Cyclic de-hypoxanthine futalosine
cyclic DHFL

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

CHEBI:64252 [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: 630.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 243.8±25.0 °C
Index of Refraction: 1.700
Molar Refractivity: 67.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 97.3±5.0 dyne/cm
Molar Volume: 175.3±5.0 cm3

Click to predict properties on the Chemicalize site


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