[3R-[3A,4A,5B(R*)]]-5-(1-Carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid

Base Information

• Chemical Name: [3R-[3A,4A,5B(R*)]]-5-(1-Carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid
• CAS No.: 127641-83-2
• Molecular Formula: C10H16O13P2
• DSSTox Substance ID: DTXSID201110096
• Wikidata: Q27464893
• Mol file: 127641-83-2.mol

Synonyms:[3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID;1x8t;DTXSID201110096;Q27464893;(3R,4S,5R)-5-[(1R)-1-Carboxy-1-phosphonoethoxy]-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid;127641-83-2

Chemical Property of [3R-[3A,4A,5B(R*)]]-5-(1-Carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid

Chemical Property:

• XLogP3: -4.2
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 406.00661456
• Heavy Atom Count: 25
• Complexity: 674

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)O)(OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O
• Isomeric SMILES: C[C@@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O

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