CID 23682485
PubChem CID
23682485
Structure
Molecular Formula
Status
Non-live
Molecular Weight
534.5 g/mol
Dates
- Create:2008-02-05
Chemical Structure Depiction
sodium;7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-8-oxo-3-(3-oxobutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI=1S/C18H20N6O8S2.Na/c1-3-32-22-10(13-21-18(19)34-23-13)14(27)20-11-15(28)24-12(17(29)30)8(6-33-16(11)24)5-31-9(26)4-7(2)25;/h11,16H,3-6H2,1-2H3,(H,20,27)(H,29,30)(H2,19,21,23);/q;+1/p-1/b22-10+;
JNMZOQSJYBCBKP-UAONINCZSA-M
CCO/N=C(\C1=NSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)CC(=O)C)C(=O)[O-].[Na+]
C18H19N6NaO8S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
534.5 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
14
Property Name
Rotatable Bond Count
Property Value
11
Property Name
Exact Mass
Property Value
534.06034821 g/mol
Property Name
Monoisotopic Mass
Property Value
534.06034821 g/mol
Property Name
Topological Polar Surface Area
Property Value
260 A^2
Property Name
Heavy Atom Count
Property Value
35
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
963
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
2
Property Name
Defined Bond Stereocenter Count
Property Value
1
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS