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D-Galacturonic acid monohydrate

CAT: 0931-TN6845Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN6845Size:5 mg
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CAS Number
685-73-4
Target
Endogenous Metabolite
Related Pathways
Metabolism
Bioactivity
D-Galacturonic acid monohydrate is a natural product.
Smiles
[C@@H]([C@@H]([C@H](C=O)O)O)([C@@H](C(O)=O)O)O
Molecular Formula
C6H10O7
Molecular Weight
194.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

D-Galacturonic Acid

D-galactopyranuronic acid is the pyranose form of D-galacturonic acid. It is a conjugate acid of a D-galactopyranuronate.

CAS Number685-73-4
PubChem CID439215
IUPAC Name(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Molecular FormulaC6H10O7
Molecular Weight194.14
XLogP-2.3
Topological Polar Surface Area127
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity205
SMILES
[C@@H]1([C@H]([C@H](OC([C@@H]1O)O)C(=O)O)O)O
InChI
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6?/m0/s1
InChIKey
AEMOLEFTQBMNLQ-YMDCURPLSA-N
Chemical Structure
2D Structure
2D structure of D-Galacturonic Acid
CAS: 685-73-4
CID: 439215
Formula: C6H10O7
MW: 194.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.14
XLogP3-2.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass194.04265265
Monoisotopic Mass194.04265265
Topological Polar Surface Area127 Ų
Heavy Atom Count13
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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