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D-Galacturonic Acid Methyl Ester

CAT: 0572-TRC-G186508-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-G186508-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16048-08-1
Synonyms
D-Galacturonic Acid Methyl Ester
Hazard Statement
No Data Available
Smiles
COC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O
Molecular Formula
C7 H12 O7
Molecular Weight
208.166
InChI
InChI=1S/C7H12O7/c1-14-7(13)6(12)5(11)4(10)3(9)2-8/h2-6,9-12H,1H3/t3-,4+,5+,6-/m0/s1
Additionnal Information
IUPAC name: methyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate
Shipping Conditions
Room Temperature

Chemical Information

Methyl-o-D-galacturonate
CAS Number16048-08-1
PubChem CID86346375
IUPAC Namemethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate
Molecular FormulaC7H12O7
Molecular Weight208.17
XLogP-2.2
Topological Polar Surface Area124
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity204
SMILES
COC(=O)[C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O
InChI
InChI=1S/C7H12O7/c1-14-7(13)6(12)5(11)4(10)3(9)2-8/h2-6,9-12H,1H3/t3-,4+,5+,6-/m0/s1
InChIKey
UNSKAUSCLTVFGO-KCDKBNATSA-N
Chemical Structure
2D Structure
2D structure of Methyl-o-D-galacturonate
CAS: 16048-08-1
CID: 86346375
Formula: C7H12O7
MW: 208.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.17
XLogP3-2.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass208.05830272
Monoisotopic Mass208.05830272
Topological Polar Surface Area124 Ų
Heavy Atom Count14
Formal Charge0
Complexity204
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-285350BD-Galacturonic acid methyl ester
MP03545-01Poly-D-galacturonic acid methyl ester
MG168258D-Galacturonic acid benzyl ester
294364-01Poly-D-galacturonic acid methyl ester discontinued. See 241177
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260809-01D-Aspartic acid a-methyl ester
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