Voglibose Impurity 5

CAT: 1596-AR-V06887-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V06887-04Size:100 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

679391-81-2

Molecular Formula

C17H33NO7

Molecular Weight

363.45

API Name

Voglibose

Chemical Information

1-Cyclohexylmethoxymethyl-5-[2-hydroxy-1-(hydroxymethyl)ethylamino]cyclohexane-1,2,3,4-tetraol

CAS Number	679391-81-2
PubChem CID	139066421
IUPAC Name	(1S,2S,3R,4S,5S)-1-(cyclohexylmethoxymethyl)-5-(1,3-dihydroxypropan-2-ylamino)cyclohexane-1,2,3,4-tetrol
Molecular Formula	C17H33NO7
Molecular Weight	363.4
XLogP	-1.7
Topological Polar Surface Area	143
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	25
Formal Charge	0
Complexity	389

SMILES

C1CCC(CC1)COC[C@]2(C[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)NC(CO)CO)O

InChI

InChI=1S/C17H33NO7/c19-7-12(8-20)18-13-6-17(24,16(23)15(22)14(13)21)10-25-9-11-4-2-1-3-5-11/h11-16,18-24H,1-10H2/t13-,14-,15+,16-,17-/m0/s1

InChIKey

XQWHXNXGBBNSDI-KSWRQPAISA-N

Chemical Structure

2D Structure

CAS: 679391-81-2

CID: 139066421

Formula: C17H33NO7

MW: 363.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.4
XLogP3	-1.7
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	363.22570239
Monoisotopic Mass	363.22570239
Topological Polar Surface Area	143 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	389
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes