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Droxidopa Impurity 5

CAT: 1299-RM-D182405-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D182405-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16322-99-9
Synonyms
D-Tyrosine, β,3-dihydroxy-, (βR) -rel-; DL-Tyrosine, β,3-dihydroxy-, erythro-; Serine, 3- (3,4-dihydroxyphenyl) -, DL-erythro- (8CI) ; rel- (βR) -β,3-Dihydroxy-D-tyrosine; DL_x005F_x0002_erythro-3,4-Dihydroxyphenylserine; erythro-2-Amino-3- (3,4-dihydroxyphenyl) -3-hydroxypropionic acid; erythro-3- (3,4-Dihydroxyphenyl) serine
Molecular Formula
C9H11NO5
Molecular Weight
213.19
Target Alternative Name
Droxidopa
Product Name Synonym
D-Tyrosine, β,3-dihydroxy-, (βR) -rel-; DL-Tyrosine, β,3-dihydroxy-, erythro-; Serine,3- (3,4-dihydroxyphenyl) -, DL-erythro- (8CI) ; rel- (βR) -β,3-Dihydroxy-D-tyrosine; DL_x0002_erythro-3,4-Dihydroxyphenylserine; erythro-2-Amino-3- (3,4-dihydroxyphenyl) -3-hydroxypropionic acid; erythro-3- (3,4-Dihydroxyphenyl) serine

Chemical Information

(2S,3S)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
CAS Number16322-99-9
PubChem CID6999030
IUPAC Name(2S,3S)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
Molecular FormulaC9H11NO5
Molecular Weight213.19
XLogP-3.2
Topological Polar Surface Area124
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity235
SMILES
C1=CC(=C(C=C1[C@@H]([C@@H](C(=O)O)N)O)O)O
InChI
InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8-/m0/s1
InChIKey
QXWYKJLNLSIPIN-YUMQZZPRSA-N
Chemical Structure
2D Structure
2D structure of (2S,3S)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
CAS: 16322-99-9
CID: 6999030
Formula: C9H11NO5
MW: 213.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.19
XLogP3-3.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass213.06372245
Monoisotopic Mass213.06372245
Topological Polar Surface Area124 Ų
Heavy Atom Count15
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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