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Search term: VEDWXCWBMDQNCV-SCFUHWHPSA-M (Found by InChIKey (full match))
ChemSpider 2D Image | futalosinate | C19H17N4O7

futalosinate

  • Molecular FormulaC19H17N4O7
  • Average mass413.361 Da
  • Monoisotopic mass413.110260 Da
  • ChemSpider ID26331406

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-{3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydro-2-furanyl]propanoyl}benzoat [German] [ACD/IUPAC Name]
3-{3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydro-2-furanyl]propanoyl}benzoate [ACD/IUPAC Name]
3-{3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tétrahydro-2-furanyl]propanoyl}benzoate [French] [ACD/IUPAC Name]
6H-Purin-6-one, 9-[7-(3-carboxyphenyl)-5,6-dideoxy-β-D-ribo-heptodialdo-1,4-furanosyl]-1,9-dihydro-, ion(1-) [ACD/Index Name]
futalosinate
3-{3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl]propanoyl}benzoate
futalosine

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

CHEBI:58863 [DBID]

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

Density:
Boiling Point: 890.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 492.2±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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