Octyl Alpha-D-glucopyranoside

Catalog Number	ACM29781804-1
CAS	29781-80-4
Structure
Synonyms	1-O-Octyl-α-D-glucopyranose
IUPAC Name	(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-octoxyoxane-3,4,5-triol
Molecular Weight	292.37
Molecular Formula	C14H28O6
Canonical SMILES	CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
InChI	InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1
InChI Key	HEGSGKPQLMEBJL-RGDJUOJXSA-N
Melting Point	110-112 °C
Purity	98%+
Complexity	250
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	292.18858861
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Monoisotopic Mass	292.18858861
Rotatable Bond Count	9
Topological Polar Surface Area	99.4 Ų

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Octyl Alpha-D-glucopyranoside (29781-80-4)

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