Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2022-09-09 19:45:26 UTC |
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Update Date | 2022-09-22 18:34:40 UTC |
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HMDB ID | HMDB0341217 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 1,3,4,6-Tetra-O-acetyl-beta-D-mannopyranose |
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Description | 1,3,4,6-Tetra-O-acetyl-beta-D-mannopyranose belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. Based on a literature review very few articles have been published on 1,3,4,6-Tetra-O-acetyl-beta-D-mannopyranose. |
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Structure | [H][C@@]1(O)[C@]([H])(OC(C)=O)O[C@]([H])(COC(C)=O)[C@@]([H])(OC(C)=O)[C@]1([H])OC(C)=O InChI=1S/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11+,12-,13-,14-/m1/s1 |
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Synonyms | Value | Source |
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1,3,4,6-Tetra-O-acetyl-b-D-mannopyranose | Generator | 1,3,4,6-Tetra-O-acetyl-β-D-mannopyranose | Generator |
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Chemical Formula | C14H20O10 |
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Average Molecular Weight | 348.304 |
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Monoisotopic Molecular Weight | 348.105646844 |
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IUPAC Name | [(2R,3R,4R,5S,6S)-3,4,6-tris(acetyloxy)-5-hydroxyoxan-2-yl]methyl acetate |
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Traditional Name | [(2R,3R,4R,5S,6S)-3,4,6-tris(acetyloxy)-5-hydroxyoxan-2-yl]methyl acetate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]1(O)[C@]([H])(OC(C)=O)O[C@]([H])(COC(C)=O)[C@@]([H])(OC(C)=O)[C@]1([H])OC(C)=O |
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InChI Identifier | InChI=1S/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11+,12-,13-,14-/m1/s1 |
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InChI Key | SHBHJRVMGYVXKK-XVIXHAIJSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Tetracarboxylic acids and derivatives |
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Direct Parent | Tetracarboxylic acids and derivatives |
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Alternative Parents | |
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Substituents | - Tetracarboxylic acid or derivatives
- Oxane
- Monosaccharide
- Secondary alcohol
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Acetal
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Not Available | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Kovats Retention IndicesNot Available |
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