Heptyl-beta-D-glucopyranoside

• CAS: 78617-12-6
• Catalog Number: ACM78617126
• Category: Other Products
• Molecular Weight: 278.34
• Molecular Formula: C13H26O6
• Synonyms: N-Heptyl β-d-glucopyranoside
• IUPAC Name: (2R,3R,4S,5S,6R)-2-(Heptyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
• Canonical SMILES: CCCCCCCOC1C(C(C(C(O1)CO)O)O)O
• InChI: InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13-/m1/s1
• InChI Key: NIDYWHLDTIVRJT-UJPOAAIJSA-N
• Boiling Point: 443.1ºC at 760 mmHg
• Melting Point: 74-75 °C
• Flash Point: 221.8ºC
• Density: 1.21g/cm³
• Complexity: 237
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 5
• Exact Mass: 278.17293854
• Hazard Statements: Xi
• H-Bond Acceptor: 6
• H-Bond Donor: 4
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 4
• Isomeric SMILES: CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
• Monoisotopic Mass: 278.17293854
• Physical State: Powder
• Rotatable Bond Count: 8
• Safety Description: 26-36
• Topological Polar Surface Area: 99.4 Ų