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D-Galacturonolactone - Compound Summary (CID 441015)

Depositor-Supplied Synonyms: (Total: 3)
Sort:
D-Galacturonolactone
D-gamma-Galacturonolactone
C06430


Properties Computed from Structure:
Molecular Weight176.12412 [g/mol]
Molecular FormulaC6H8O6
XLogP3-AA-1.8
H-Bond Donor3
H-Bond Acceptor6
Rotatable Bond Count2
Tautomer Count23
Exact Mass176.032088
MonoIsotopic Mass176.032088
Topological Polar Surface Area104
Heavy Atom Count12
Formal Charge0
Complexity202
Isotope Atom Count0
Defined Atom StereoCenter Count3
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 2-[(2S,3S,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde
Canonical SMILES: C(=O)C(C1C(C(C(=O)O1)O)O)O
Isomeric SMILES: C(=O)C([C@@H]1[C@H]([C@@H](C(=O)O1)O)O)O
InChI: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2?,3-,4-,
5+/m0/s1
InChIKey: UYUXSRADSPPKRZ-VRUJNKQUSA-N


Compound Information:
CID 441015   
Create Date: 2005-06-24

Related Compounds:
Same, Connectivity: 7 Links

Similar Compounds: 191 Links
Similar Conformers: 49 Links    View Conformers


Substance Information:
Substances: 2 Links

Category: [for same structure substances]
Metabolic Pathways: 1 Link
   KEGG ( 1 )
SID 8665 - External ID: C06430

Substance Vendors: 1 Link
   ChemSpider ( 1 )
SID 36884946 - External ID: 389835
     

2D

3D
Compound ID441015
Molecular Weight176.12412 [g/mol]
Molecular FormulaC6H8O6
XLogP3-AA-1.8
H-Bond Donor3
H-Bond Acceptor6


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