sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride

C14H20N5NaO8S2 — CID 173406210

About sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride

sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride (PubChem CID 173406210) has the molecular formula C14H20N5NaO8S2 and a molecular weight of 473.47 g/mol. Its IUPAC name is sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride.

Molecular Properties

• Compound Name: sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride
• PubChem CID: 173406210
• Molecular Formula: C14H20N5NaO8S2
• Molecular Weight: 473.47 g/mol
• Exact Mass: 473.07
• IUPAC Name: sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride
• SMILES: CO/N=C(\C(=O)N[C@@H]1C(=O)N(S(=O)(=O)O)[C@@H]1C1COC(C)(C)O1)c1csc(N)n1.[H-].[Na+]
• InChI: InChI=1S/C14H19N5O8S2.Na.H/c1-14(2)26-4-7(27-14)10-9(12(21)19(10)29(22,23)24)17-11(20)8(18-25-3)6-5-28-13(15)16-6;;/h5,7,9-10H,4H2,1-3H3,(H2,15,16)(H,17,20)(H,22,23,24);;/q;+1;-1/b18-8-;;/t7?,9-,10+;;/m0../s1
• InChIKey: VQUAEUSWFMEPRX-OAPXRQEXSA-N
• XLogP: -4.16
• TPSA: 182.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.47
LogP ≤ 5	-4.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride?

The IUPAC name of sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride (CID 173406210) is sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride.

What is the SMILES notation for sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride?

The canonical SMILES for sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride is CO/N=C(\C(=O)N[C@@H]1C(=O)N(S(=O)(=O)O)[C@@H]1C1COC(C)(C)O1)c1csc(N)n1.[H-].[Na+].

What is the InChIKey of sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride?

The InChIKey is VQUAEUSWFMEPRX-OAPXRQEXSA-N. The full InChI is InChI=1S/C14H19N5O8S2.Na.H/c1-14(2)26-4-7(27-14)10-9(12(21)19(10)29(22,23)24)17-11(20)8(18-25-3)6-5-28-13(15)16-6;;/h5,7,9-10H,4H2,1-3H3,(H2,15,16)(H,17,20)(H,22,23,24);;/q;+1;-1/b18-8-;;/t7?,9-,10+;;/m0../s1.

What are the key properties of sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride?

sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride has a molecular weight of 473.47 g/mol, XLogP of -4.16, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride is sourced from PubChem (CID 173406210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).