Found 1 result

Search term: 6-amino-6-deoxyfutalosine (Found by synonym)
ChemSpider 2D Image | aminodeoxyfutalosinate | C19H18N5O6

aminodeoxyfutalosinate

  • Molecular FormulaC19H18N5O6
  • Average mass412.377 Da
  • Monoisotopic mass412.126251 Da
  • ChemSpider ID27471444

  • 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)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]propanoyl}benzoat [German] [ACD/IUPAC Name]
3-{3-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]propanoyl}benzoate [ACD/IUPAC Name]
3-{3-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]propanoyl}benzoate [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[7-(3-carboxyphenyl)-5,6-dideoxy-β-D-ribo-heptodialdo-1,4-furanosyl]-, ion(1-) [ACD/Index Name]
aminodeoxyfutalosinate
3-{3-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]propanoyl}benzoate
6-amino-6-deoxyfutalosine
aminodeoxyfutalosinate anion
aminodeoxyfutalosinate(1-)

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

CHEBI:64286 [DBID]
  • Miscellaneous

    • Chemical Class:

      A 5-oxo monocarboxylic acid anion that is the conjugate base of aminodeoxyfutalosine, arising from deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:64286

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

Density:
Boiling Point: 811.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 444.3±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.34
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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