4-Hydroxyphenyl β-D-Glucopyranosiduronic Acid
Properties
Property | Value |
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Formula | C12H14O8 |
IUPAC Name | (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)tetrahydropyran-2-carboxylic acid |
Molecular Mass | 286.235 g·mol−1 |
Heat of Formation | -1327.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.71 ± 1.08 D |
Volume | 306.71 Å 3 |
Surface Area | 276.81 Å 2 |
HOMO Energy | -9.04 ± 0.55 eV |
LUMO Energy | -0.05 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | KCWGTTYNHQOGSJ-GOVZDWNOSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |