Heptyl-beta-D-glucopyranoside

Catalog Number	ACM78617126
CAS	78617-12-6
Structure
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
Purity	98%+
Density	1.21g/cm³
Complexity	237
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	278.17293854
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
Topological Polar Surface Area	99.4 Ų

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Heptyl-beta-D-glucopyranoside (78617-12-6)

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