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δ-2-Cefodizime (2:1 mixture)

CAT: 0024-sc-504739Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-504739Size:10 mg
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CAS Number
120533-30-4

Chemical Information

delta-2-Cefodizime
CAS Number120533-30-4
PubChem CID21769368
IUPAC Name(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
Molecular FormulaC20H20N6O7S4
Molecular Weight584.7
XLogP1.4
Topological Polar Surface Area304
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity1020
SMILES
CC1=C(SC(=N1)SCC2=CS[C@@H]3[C@@H](C(=O)N3C2C(=O)O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)CC(=O)O
InChI
InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h4,6,13-14,17H,3,5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,14?,17-/m1/s1
InChIKey
FIWOQUPUOGJRPY-PXUGJTILSA-N
Chemical Structure
2D Structure
2D structure of delta-2-Cefodizime
CAS: 120533-30-4
CID: 21769368
Formula: C20H20N6O7S4
MW: 584.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.7
XLogP31.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Exact Mass584.02763169
Monoisotopic Mass584.02763169
Topological Polar Surface Area304 Ų
Heavy Atom Count37
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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