1-O-[(8S)-9-hydroxy-8-methylnonyl] 6-O-[(1S,2R,3R,4R)-1,2,3,4-tetrahydroxypentyl] hexanedioate

Base Information

• Chemical Name: 1-O-[(8S)-9-hydroxy-8-methylnonyl] 6-O-[(1S,2R,3R,4R)-1,2,3,4-tetrahydroxypentyl] hexanedioate
• CAS No.: 115984-51-5
• Molecular Formula: C21H40O9
• Molecular Weight: 436.5369
• Wikidata: Q76280359

Synonyms:115984-51-5

Chemical Property of 1-O-[(8S)-9-hydroxy-8-methylnonyl] 6-O-[(1S,2R,3R,4R)-1,2,3,4-tetrahydroxypentyl] hexanedioate

Chemical Property:

• Vapor Pressure: 1.35E-17mmHg at 25°C
• Boiling Point: 613.2°C at 760 mmHg
• Flash Point: 202.2°C
• Density: 1.174g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 20
• Exact Mass: 436.26723285
• Heavy Atom Count: 30
• Complexity: 458

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB
• Canonical SMILES: CC(CCCCCCCOC(=O)CCCCC(=O)OC(C(C(C(C)O)O)O)O)CO
• Isomeric SMILES: C[C@@H](CCCCCCCOC(=O)CCCCC(=O)O[C@@H]([C@@H]([C@@H]([C@@H](C)O)O)O)O)CO

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