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Corynecin IV

CAT: 0543-C187-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0543-C187-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40958-11-0
Applications
Microbiology.
Purity
>95% by HPLC
Molecular Formula
C13H16N2O6
Molecular Weight
296.3
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Corynecin IV
CAS Number40958-11-0
PubChem CID133562649
IUPAC Name[(2R,3R)-2-acetamido-3-hydroxy-3-(4-nitrophenyl)propyl] acetate
Molecular FormulaC13H16N2O6
Molecular Weight296.28
XLogP0.5
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity387
SMILES
CC(=O)N[C@H](COC(=O)C)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O
InChI
InChI=1S/C13H16N2O6/c1-8(16)14-12(7-21-9(2)17)13(18)10-3-5-11(6-4-10)15(19)20/h3-6,12-13,18H,7H2,1-2H3,(H,14,16)/t12-,13-/m1/s1
InChIKey
BDRQNWQWGITGRM-CHWSQXEVSA-N
Chemical Structure
2D Structure
2D structure of Corynecin IV
CAS: 40958-11-0
CID: 133562649
Formula: C13H16N2O6
MW: 296.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.28
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass296.10083623
Monoisotopic Mass296.10083623
Topological Polar Surface Area121 Ų
Heavy Atom Count21
Formal Charge0
Complexity387
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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