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Tetragalacturonic acid

CAT: 0013-GTR19246953-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19246953-01Size:250 mg
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Description
Tetragalacturonic acid is a reagent used in biochemical reactions.
CAS Number
24008-75-1
Smiles
OC ([C@@H] (O[C@@H] ([C@@H] ([C@H]1O) O) O[C@@H] ([C@H] (O) C (O) =O) [C@H] (O) [C@@H] (O) C=O) [C@@H]1O[C@H]2O[C@@H] ([C@@H] ([C@@H] ([C@H]2O) O) O[C@H]3O[C@@H] ([C@@H] ([C@@H] ([C@H]3O) O) O) C (O) =O) C (O) =O) =O
Molecular Formula
C24H34O25
Molecular Weight
722.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tetragalacturonic acid
CAS Number24008-75-1
PubChem CID169446928
IUPAC Name(2R,3S,4R,5S,6R)-6-[(2R,3S,4S,5S,6R)-2-carboxy-6-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(2R,3S,4S,5S)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC24H34O25
Molecular Weight722.5
XLogP-8
Topological Polar Surface Area416
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count25
Rotatable Bond Count10
Heavy Atom Count49
Formal Charge0
Complexity1220
SMILES
[C@H]1([C@@H]([C@@H](O[C@H]([C@H]1O)O[C@H]2[C@H]([C@@H]([C@@H](O[C@H]2C(=O)O)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)O)O[C@H]4[C@H]([C@@H](C(O[C@H]4C(=O)O)O)O)O)O)O)O)O)C(=O)O)O)O
InChI
InChI=1S/C24H34O25/c25-1-2(26)13(17(34)35)47-22(7(1)31)45-11-4(28)9(33)24(49-15(11)19(38)39)46-12-5(29)8(32)23(48-16(12)20(40)41)44-10-3(27)6(30)21(42)43-14(10)18(36)37/h1-16,21-33,42H,(H,34,35)(H,36,37)(H,38,39)(H,40,41)/t1-,2+,3+,4+,5-,6+,7+,8-,9+,10+,11+,12-,13-,14-,15-,16+,21?,22-,23+,24-/m1/s1
InChIKey
GOIKIOHGMNUNBL-WLHJSCBQSA-N
Chemical Structure
2D Structure
2D structure of Tetragalacturonic acid
CAS: 24008-75-1
CID: 169446928
Formula: C24H34O25
MW: 722.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight722.5
XLogP3-8
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count25
Rotatable Bond Count10
Exact Mass722.13891657
Monoisotopic Mass722.13891657
Topological Polar Surface Area416 Ų
Heavy Atom Count49
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes