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Riboflavin Impurity 23

CAT: 1299-RM-R707250-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R707250-01Size:10 mg
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CAS Number
21037-26-3
Synonyms
(2R,3S,4S) -5- ((4,5-dimethyl-2- (phenyldiazenyl) phenyl) amino) pentane-1,2,3,4-tetraol
Molecular Formula
C19H25N3O4
Molecular Weight
359.43
Target Alternative Name
Riboflavin

Chemical Information

1-Deoxy-1-(4,5-dimethyl-2-(phenylazo)phenylamino)-D-ribitol
CAS Number21037-26-3
PubChem CID88758
IUPAC Name(2R,3S,4S)-5-(4,5-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol
Molecular FormulaC19H25N3O4
Molecular Weight359.4
XLogP2.4
Topological Polar Surface Area118
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity431
SMILES
CC1=CC(=C(C=C1C)N=NC2=CC=CC=C2)NC[C@@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C19H25N3O4/c1-12-8-15(20-10-17(24)19(26)18(25)11-23)16(9-13(12)2)22-21-14-6-4-3-5-7-14/h3-9,17-20,23-26H,10-11H2,1-2H3/t17-,18+,19-/m0/s1
InChIKey
NARUXRZZSJCXFJ-OTWHNJEPSA-N
Chemical Structure
2D Structure
2D structure of 1-Deoxy-1-(4,5-dimethyl-2-(phenylazo)phenylamino)-D-ribitol
CAS: 21037-26-3
CID: 88758
Formula: C19H25N3O4
MW: 359.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.4
XLogP32.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass359.18450629
Monoisotopic Mass359.18450629
Topological Polar Surface Area118 Ų
Heavy Atom Count26
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-R01529-01Riboflavin Impurity B
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