disodium;(6R)-4-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride

C19H20N6Na2O8S2 — CID 173436151

About disodium;(6R)-4-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride

disodium;(6R)-4-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride (PubChem CID 173436151) has the molecular formula C19H20N6Na2O8S2 and a molecular weight of 570.52 g/mol. Its IUPAC name is disodium;(6R)-4-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride.

Molecular Properties

• Compound Name: disodium;(6R)-4-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride
• PubChem CID: 173436151
• Molecular Formula: C19H20N6Na2O8S2
• Molecular Weight: 570.52 g/mol
• Exact Mass: 570.06
• IUPAC Name: disodium;(6R)-4-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride
• SMILES: CO/N=C(\C(=O)NC1S[C@@H]2CC(=O)N2C(C(=O)O)=C1CSc1nc(=O)c(=O)[nH]n1C)c1ccco1.[H-].[H-].[Na+].[Na+]
• InChI: InChI=1S/C19H18N6O8S2.2Na.2H/c1-24-19(21-15(28)16(29)22-24)34-7-8-13(18(30)31)25-10(26)6-11(25)35-17(8)20-14(27)12(23-32-2)9-4-3-5-33-9;;;;/h3-5,11,17H,6-7H2,1-2H3,(H,20,27)(H,22,29)(H,30,31);;;;/q;2*+1;2*-1/b23-12-;;;;/t11-,17?;;;;/m1..../s1
• InChIKey: TWQIHZMIKAUIMS-HOQKRGMSSA-N
• XLogP: -6.48
• TPSA: 189.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.52
LogP ≤ 5	-6.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;(6R)-4-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride?

The IUPAC name of disodium;(6R)-4-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride (CID 173436151) is disodium;(6R)-4-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride.

What is the SMILES notation for disodium;(6R)-4-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride?

The canonical SMILES for disodium;(6R)-4-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride is CO/N=C(\C(=O)NC1S[C@@H]2CC(=O)N2C(C(=O)O)=C1CSc1nc(=O)c(=O)[nH]n1C)c1ccco1.[H-].[H-].[Na+].[Na+].

What is the InChIKey of disodium;(6R)-4-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride?

The InChIKey is TWQIHZMIKAUIMS-HOQKRGMSSA-N. The full InChI is InChI=1S/C19H18N6O8S2.2Na.2H/c1-24-19(21-15(28)16(29)22-24)34-7-8-13(18(30)31)25-10(26)6-11(25)35-17(8)20-14(27)12(23-32-2)9-4-3-5-33-9;;;;/h3-5,11,17H,6-7H2,1-2H3,(H,20,27)(H,22,29)(H,30,31);;;;/q;2*+1;2*-1/b23-12-;;;;/t11-,17?;;;;/m1..../s1.

What are the key properties of disodium;(6R)-4-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride?

disodium;(6R)-4-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride has a molecular weight of 570.52 g/mol, XLogP of -6.48, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;(6R)-4-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydride is sourced from PubChem (CID 173436151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).