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Corynecin II

CAT: 0931-TXB-00072-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TXB-00072-02Size:10 mg
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CAS Number
35098-52-3
Bioactivity
Corynecin II is a reagent used in biochemical reactions.
Smiles
CCC(N[C@H](CO)[C@@H](C1=CC=C(C=C1)[N+]([O-])=O)O)=O
Molecular Formula
C12H16N2O5
Molecular Weight
268.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

n-((1r,2r)-1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)propanamide

n-[(1r,2r)-1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl]propanamide has been reported in Streptomyces venezuelae with data available.

CAS Number35098-52-3
PubChem CID215153
IUPAC NameN-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]propanamide
Molecular FormulaC12H16N2O5
Molecular Weight268.27
XLogP0.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity310
SMILES
CCC(=O)N[C@H](CO)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O
InChI
InChI=1S/C12H16N2O5/c1-2-11(16)13-10(7-15)12(17)8-3-5-9(6-4-8)14(18)19/h3-6,10,12,15,17H,2,7H2,1H3,(H,13,16)/t10-,12-/m1/s1
InChIKey
LJMULVALRTTYIT-ZYHUDNBSSA-N
Chemical Structure
2D Structure
2D structure of n-((1r,2r)-1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)propanamide
CAS: 35098-52-3
CID: 215153
Formula: C12H16N2O5
MW: 268.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.27
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass268.10592162
Monoisotopic Mass268.10592162
Topological Polar Surface Area115 Ų
Heavy Atom Count19
Formal Charge0
Complexity310
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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