| SpectraBase Compound ID | J4LBP5ZaNUo |
|---|---|
| InChI | InChI=1S/C9H16O7/c1-13-6-4(10)5(11)9(15-3)16-7(6)8(12)14-2/h4-7,9-11H,1-3H3/t4-,5-,6+,7+,9+/m1/s1 |
| InChIKey | VRQGSFPALWCJBE-RQYWWVFRSA-N |
| Mol Weight | 236.22 g/mol |
| Molecular Formula | C9H16O7 |
| Exact Mass | 236.089603 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HRG2NqYpSCD |
|---|---|
| Name | Dimethyl 4-O-methylhexopyranosiduronate |
| Alternate Name(s) | (2S,3S,4R,5R,6S)-4,5-dihydroxy-3,6-dimethoxy-2-oxanecarboxylic acid methyl ester Methyl (2S,3S,4R,5R,6S)-4,5-dihydroxy-3,6-dimethoxyoxane-2-carboxylate Methyl (2S,3S,4R,5R,6S)-4,5-dihydroxy-3,6-dimethoxy-tetrahydropyran-2-carboxylate Methyl (2S,3S,4R,5R,6S)-3,6-dimethoxy-4,5-bis(oxidanyl)oxane-2-carboxylate |
| CAS Registry Number | 31506-18-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H16O7 |
| InChI | InChI=1S/C9H16O7/c1-13-6-4(10)5(11)9(15-3)16-7(6)8(12)14-2/h4-7,9-11H,1-3H3/t4-,5-,6+,7+,9+/m1/s1 |
| InChIKey | VRQGSFPALWCJBE-RQYWWVFRSA-N |
| Molecular Weight | 236.220 g/mol |
| SMILES | O[C@@]1([C@]([C@](O[C@@]([C@]1(OC)[H])(C(=O)OC)[H])(OC)[H])(O)[H])[H] |
| SPLASH | splash10-0079-9100000000-2298b4deb1ecca8d2889 |
| Source of Spectrum | O-10-377-2 |
| Wiley ID | 1237575 |