EBQ

(3S)-3-hydroxybutyl alpha-D-glucopyranoside

Created:	2010-06-04
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	6
Bond Count	37
Aromatic Bond Count	0

2D diagram of EBQ

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Chemical Component Summary
Name	(3S)-3-hydroxybutyl alpha-D-glucopyranoside
Synonyms	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{S})-3-oxidanylbutoxy]oxane-3,4,5-triol; reacted 3R,4-EPOXYBUTYL-ALPHA-D-GLUCOPYRANOSIDE; (3S)-3-hydroxybutyl alpha-D-glucoside; (3S)-3-hydroxybutyl D-glucoside; (3S)-3-hydroxybutyl glucoside
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{S})-3-oxidanylbutoxy]oxane-3,4,5-triol
Formula	C₁₀ H₂₀ O₇
Molecular Weight	252.262
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.6	CC(CCOC1C(C(C(C(O1)CO)O)O)O)O
Canonical SMILES	CACTVS	3.385	C[C@H](O)CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
InChI	InChI	1.03	InChI=1S/C10H20O7/c1-5(12)2-3-16-10-9(15)8(14)7(13)6(4-11)17-10/h5-15H,2-4H2,1H3/t5-,6+,7+,8-,9+,10-/m0/s1
InChIKey	InChI	1.03	IQTXPPTUXXJFDH-DLXYEPTOSA-N

Related Resource References

Resource Name	Reference
PubChem	49766621

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