(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-((1R,3R)-3-((Z)-3-hydroxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropanecarbonyl)oxyoxane-2-carboxylic acid

Base Information

• Chemical Name: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-((1R,3R)-3-((Z)-3-hydroxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropanecarbonyl)oxyoxane-2-carboxylic acid
• CAS No.: 93132-73-1
• Molecular Formula: C16H22O10
• Molecular Weight: 374.3399

Synonyms:(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-((1R,3R)-3-((Z)-3-hydroxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropanecarbonyl)oxyoxane-2-carboxylic acid;93132-73-1

Chemical Property of (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-((1R,3R)-3-((Z)-3-hydroxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropanecarbonyl)oxyoxane-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.05E-17mmHg at 25°C
• Boiling Point: 615.2°Cat760mmHg
• Flash Point: 223°C
• Density: 1.54g/cm³
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 374.12129689
• Heavy Atom Count: 26
• Complexity: 639

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1C(C1(C)C)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)C(=O)O
• Isomeric SMILES: C/C(=C/[C@@H]1[C@H](C1(C)C)C(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C(=O)O

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