Structure database (LMSD)

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LM IDLMFA05000654
Common NameD-tagaturonic acid
Systematic NameD-arabino-hex-5-ulosonic acid
Synonyms-
Exact Mass
194.0427 (neutral)    Calculate m/z:
FormulaC6H10O7
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
AbbrevFOH 6:2;O6
PubChem CID5460675
CHEBI ID21099
InChIKeyIZSRJDGCGRAUAR-WDCZJNDASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)/t3-,4-,5+/m1/s1
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SMILES
C(O)C(=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
168.61Topological Polar
Surface Area
135.29Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
7
 logP-2.14Molar
Refractivity
39.77