6-O-Hexopyranosylhexose

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Basic information

CAS: 117250-00-7
Standard SMILES: O=CC(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O
InChIKey: AYRXSINWFIIFAE-UHFFFAOYSA-N
Molecular formula: C12H22O11
Average molar mass: 342.3 g/mol
Monoisotopic mass: 342.11621151

Overview

See also: Gentiobiose (annotation moved to).

Names & identifiers

Preferred name: 6-O-Hexopyranosylhexose
IUPAC: 2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal

Names & synonyms

6-O-HexopyranosylhexoseDTXSID40277375117250-00-7RefChem:309216DTXCID30228533beta1-6GalactobioseNSC2028Mellibiosess-GentiobioseB-Gentiobiose6-O-(a-D-Mannopyranosyl)-D-mannosed(+)-melibiose

Show more names

Melibiose [M+H]+SCHEMBL38975HMS5083F06(2R,3S,4R,5R)-2,3,4,5-TETRAHYDROXY-6-{[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}HEXANAL(2S,3S,4R,5R)-2,3,4,5-TETRAHYDROXY-6-{[(2S,3S,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}HEXANALAKOS0243862816-O- beta-D -Glucopyranosyl-D -glucoseST51037267

Database identifiers

CAS: 117250-00-7、585-99-9
PubChem CID: 219994
DTXSID: DTXSID40277375

Properties

Computed structural properties

XLogP: -5
Topological polar surface area: 197 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 11
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 367

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Compound notes

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