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Corynecin I

CAT: 0543-C184-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0543-C184-5MGSize:5 mg
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CAS Number
4423-58-9
Applications
Microbiology.
Purity
>95% by HPLC
Molecular Formula
C11H14N2O5
Molecular Weight
254.2
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

N-[(1R,2R)-1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]acetamide
CAS Number4423-58-9
PubChem CID247978
IUPAC NameN-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
Molecular FormulaC11H14N2O5
Molecular Weight254.24
XLogP0
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity296
SMILES
CC(=O)N[C@H](CO)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O
InChI
InChI=1S/C11H14N2O5/c1-7(15)12-10(6-14)11(16)8-2-4-9(5-3-8)13(17)18/h2-5,10-11,14,16H,6H2,1H3,(H,12,15)/t10-,11-/m1/s1
InChIKey
PIVQDUYOEIAFDM-GHMZBOCLSA-N
Chemical Structure
2D Structure
2D structure of N-[(1R,2R)-1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]acetamide
CAS: 4423-58-9
CID: 247978
Formula: C11H14N2O5
MW: 254.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.24
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass254.09027155
Monoisotopic Mass254.09027155
Topological Polar Surface Area115 Ų
Heavy Atom Count18
Formal Charge0
Complexity296
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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