Heptyl-beta-D-glucopyranoside

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Catalog Number
ACM78617126
Product Name
Heptyl-beta-D-glucopyranoside
Structure
Structure
CAS
78617-12-6
Category
Heterocyclic Organic Compound
Synonyms
N-Heptyl β-d-glucopyranoside
IUPAC Name
(2R,3R,4S,5S,6R)-2-(Heptyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Molecular Weight
278.34
Molecular Formula
C13H26O6
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
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