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Voglibose Tbv Base Impurity

CAT: 1299-RM-V071201-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V071201-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115250-39-0
Synonyms
2- (((1S,2S,3R,4S,5S) -2,3,4-tris (benzyloxy) -5- ((benzyloxy) methyl) -5-hydroxycyclohexyl) amino) propane-1,3-diol
Molecular Formula
C38H45NO7
Molecular Weight
627.77
Target Alternative Name
Voglibose
Product Name Synonym
2- (((1S,2S,3R,4S,5S) -2,3,4-tris (benzyloxy) -5- ((benzyloxy) methyl) -5-hydroxycyclohexyl) amino) propane-1,3-diol

Chemical Information

2-(((1S,2S,3R,4S,5S)-2,3,4-Tris(benzyloxy)-5-((benzyloxy)methyl)-5-hydroxycyclohexyl)amino)propane-1,3-diol
CAS Number115250-39-0
PubChem CID14299815
IUPAC Name2-[[(1S,2S,3R,4S,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]amino]propane-1,3-diol
Molecular FormulaC38H45NO7
Molecular Weight627.8
XLogP3.5
Topological Polar Surface Area110
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count46
Formal Charge0
Complexity805
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(CO)CO
InChI
InChI=1S/C38H45NO7/c40-22-33(23-41)39-34-21-38(42,28-43-24-29-13-5-1-6-14-29)37(46-27-32-19-11-4-12-20-32)36(45-26-31-17-9-3-10-18-31)35(34)44-25-30-15-7-2-8-16-30/h1-20,33-37,39-42H,21-28H2/t34-,35-,36+,37-,38-/m0/s1
InChIKey
DYSHUNINHUTCLX-ILOBPARPSA-N
Chemical Structure
2D Structure
2D structure of 2-(((1S,2S,3R,4S,5S)-2,3,4-Tris(benzyloxy)-5-((benzyloxy)methyl)-5-hydroxycyclohexyl)amino)propane-1,3-diol
CAS: 115250-39-0
CID: 14299815
Formula: C38H45NO7
MW: 627.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight627.8
XLogP33.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass627.31960277
Monoisotopic Mass627.31960277
Topological Polar Surface Area110 Ų
Heavy Atom Count46
Formal Charge0
Complexity805
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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