Voglibose Impurity 3

CAT: 1596-AR-V06885-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V06885-01Size:10 Units

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CAS Number

756527-26-1

Molecular Formula

C17H33NO7

Molecular Weight

363.45

API Name

Voglibose

Chemical Information

Voglibose Impurity 28

CAS Number	756527-26-1
PubChem CID	177830757
IUPAC Name	(1S,2S,3R,4S,5S)-3-(cyclohexylmethoxy)-5-(1,3-dihydroxypropan-2-ylamino)-1-(hydroxymethyl)cyclohexane-1,2,4-triol
Molecular Formula	C17H33NO7
Molecular Weight	363.4
XLogP	-1.2
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)CO[C@@H]2[C@H]([C@H](C[C@@]([C@H]2O)(CO)O)NC(CO)CO)O

InChI

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

InChIKey

BBDIKQHWDIJQGV-KSWRQPAISA-N

Chemical Structure

2D Structure

CAS: 756527-26-1

CID: 177830757

Formula: C17H33NO7

MW: 363.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.4
XLogP3	-1.2
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