Lactobionic acid, delta-lactone

HCID 225486

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Basic information

CAS: 52762-22-8
Standard SMILES: O=C1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChIKey: FSICMNGKCHFHGP-UHFFFAOYSA-N
Molecular formula: C12H20O11
Average molar mass: 340.28 g/mol
Monoisotopic mass: 340.10056145

Names & identifiers

Preferred name: Lactobionic acid, delta-lactone
IUPAC: 3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-one

Names & synonyms

Lactobionic acid, .delta.-lactoneNSC14980SCHEMBL1639647NSC196590NSC-1965903,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-one3,4-Dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-one

Database identifiers

CAS: 52762-22-8、5965-65-1
PubChem CID: 225486

Properties

Computed structural properties

XLogP: -4.2
Topological polar surface area: 186 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 11
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 418

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