Hexyl beta-D-glucopyranoside

Catalog Number	ACM59080454
CAS	59080-45-4
Structure
Synonyms	Beta-D-glucopyranoside, hexyl
IUPAC Name	(2R,3R,4S,5S,6R)-2-Hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	264.31
Molecular Formula	C12H24O6
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
Purity	98%+
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

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Hexyl beta-D-glucopyranoside (59080-45-4)

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