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Corynecin III

CAT: 0543-C186-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0543-C186-5MGSize:5 mg
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CAS Number
18048-95-8
Applications
Microbiology.
Purity
>95% by HPLC
Molecular Formula
C13H18N2O5
Molecular Weight
282.3
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Corynecin III

Corynecin III is a C-nitro compound.

CAS Number18048-95-8
PubChem CID101131598
IUPAC NameN-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-methylpropanamide
Molecular FormulaC13H18N2O5
Molecular Weight282.29
XLogP0.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity334
SMILES
CC(C)C(=O)N[C@H](CO)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O
InChI
InChI=1S/C13H18N2O5/c1-8(2)13(18)14-11(7-16)12(17)9-3-5-10(6-4-9)15(19)20/h3-6,8,11-12,16-17H,7H2,1-2H3,(H,14,18)/t11-,12-/m1/s1
InChIKey
IUBVSPMUTLUQHL-VXGBXAGGSA-N
Chemical Structure
2D Structure
2D structure of Corynecin III
CAS: 18048-95-8
CID: 101131598
Formula: C13H18N2O5
MW: 282.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.29
XLogP30.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass282.12157168
Monoisotopic Mass282.12157168
Topological Polar Surface Area115 Ų
Heavy Atom Count20
Formal Charge0
Complexity334
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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