Hexyl beta-D-glucopyranoside

• CAS: 59080-45-4
• Catalog Number: ACM59080454
• Category: Other Products
• Molecular Weight: 264.31
• Molecular Formula: C12H24O6
• Synonyms: Beta-D-glucopyranoside, hexyl
• IUPAC Name: (2R,3R,4S,5S,6R)-2-Hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
• Canonical SMILES: CCCCCCOC1C(C(C(C(O1)CO)O)O)O
• InChI: InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
• InChI Key: JVAZJLFFSJARQM-RMPHRYRLSA-N
• Melting Point: 84-86 °C
• Complexity: 225
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 5
• Exact Mass: 264.15728848
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 4
• Isomeric SMILES: CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
• Monoisotopic Mass: 264.15728848
• Rotatable Bond Count: 7
• Topological Polar Surface Area: 99.4 Ų