morruato de sodio

disodium;7-[[2-carboxylato-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS: 8031-09-2

Molecular Formula	`C20H18N6Na2O9S`
Molecular Weight	564.4 g/mol
Topological Polar Surface Area	237.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	13
Rotatable Bonds	7
Exact Mass	564.0651
Heavy Atoms	38
Complexity	947.0

Chemical Identifiers

CAS Number	8031-09-2
SMILES	`CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)[O-])OC)OC2)C(=O)[O-].[Na+].[Na+]`
InChIKey	`GRIXGZQULWMCLU-UHFFFAOYSA-L`

📖 Product Overview

morruato de sodio (CAS: 8031-09-2) is a chemical compound with molecular formula C20H18N6Na2O9S and molecular weight 564.4 g/mol. Its IUPAC systematic name is disodium;7-[[2-carboxylato-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate. Topological Polar Surface Area 237.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 13 Rotatable Bonds 7 Exact Mass 564.0651 Heavy Atoms 38 Complexity 947.0 InChI Key: GRIXGZQULWMCLU-UHFFFAOYSA-L. SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)[O-])OC)OC2)C(=O)[O-].[Na+].[Na+].

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