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Corynecin V

CAT: 0013-GTR19191084-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191084-01Size:1 mg
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Description
Corynecin V
CAS Number
40958-12-1
Field of Research
Metabolism Research
Smiles
CCC (=O) N[C@H] (COC (C) =O) [C@H] (O) c1ccc (cc1) [N+] ([O-]) =O
Molecular Formula
C14H18N2O6
Molecular Weight
310.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Corynecin V

Corynecin V is a C-nitro compound.

CAS Number40958-12-1
PubChem CID133562650
IUPAC Name[(2R,3R)-3-hydroxy-3-(4-nitrophenyl)-2-(propanoylamino)propyl] acetate
Molecular FormulaC14H18N2O6
Molecular Weight310.30
XLogP0.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity401
SMILES
CCC(=O)N[C@H](COC(=O)C)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O
InChI
InChI=1S/C14H18N2O6/c1-3-13(18)15-12(8-22-9(2)17)14(19)10-4-6-11(7-5-10)16(20)21/h4-7,12,14,19H,3,8H2,1-2H3,(H,15,18)/t12-,14-/m1/s1
InChIKey
JOPRUKVGIPMAMF-TZMCWYRMSA-N
Chemical Structure
2D Structure
2D structure of Corynecin V
CAS: 40958-12-1
CID: 133562650
Formula: C14H18N2O6
MW: 310.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.30
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass310.11648630
Monoisotopic Mass310.11648630
Topological Polar Surface Area121 Ų
Heavy Atom Count22
Formal Charge0
Complexity401
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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