Voglibose Impurity 26

CAT: 1299-RM-V071226-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-V071226-02Size:25 mg

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CAS Number

756527-25-0

Synonyms

(1S,2R,3S,4S,6S) -3- (cyclohexylmethoxy) -6- ((1,3-dihydroxypropan-2-yl) amino) -4- (hydroxymethyl) cyclohexane-1,2,4-triol

Molecular Formula

C17H33NO7

Molecular Weight

363.45

Target Alternative Name

Voglibose

Product Name Synonym

(1S,2R,3S,4S,6S) -3- (cyclohexylmethoxy) -6- ((1,3-dihydroxypropan-2-yl) amino) -4- (hydroxymethyl) cyclohexane-1,2,4-triol

Chemical Information

Voglibose Impurity 26

CAS Number	756527-25-0
PubChem CID	177830750
IUPAC Name	(1S,2R,3S,4S,6S)-3-(cyclohexylmethoxy)-6-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclohexane-1,2,4-triol
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)CO[C@H]2[C@@H]([C@H]([C@H](C[C@@]2(CO)O)NC(CO)CO)O)O

InChI

InChI=1S/C17H33NO7/c19-7-12(8-20)18-13-6-17(24,10-21)16(15(23)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

FXIHFLDZTPIMEN-KSWRQPAISA-N

Chemical Structure

2D Structure

CAS: 756527-25-0

CID: 177830750

Formula: C17H33NO7

MW: 363.4

Interactive 3D Structure

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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