sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide

C8H17NO11S — CID 141457173

About sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide

sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide (PubChem CID 141457173) has the molecular formula C8H17NO11S and a molecular weight of 335.29 g/mol. Its IUPAC name is sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide.

Molecular Properties

• Compound Name: sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
• PubChem CID: 141457173
• Molecular Formula: C8H17NO11S
• Molecular Weight: 335.29 g/mol
• Exact Mass: 335.05
• IUPAC Name: sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
• SMILES: CC(=O)NC1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=S(=O)(O)O
• InChI: InChI=1S/C8H15NO7.H2O4S/c1-3(11)9-8(15)7(14)6(13)5(12)4(2-10)16-8;1-5(2,3)4/h4-7,10,12-15H,2H2,1H3,(H,9,11);(H2,1,2,3,4)/t4-,5-,6+,7-,8?;/m1./s1
• InChIKey: DTCULTCXKULMHI-DBKUKYHUSA-N
• XLogP: -4.41
• TPSA: 214.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	335.29
LogP ≤ 5	-4.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?

The IUPAC name of sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide (CID 141457173) is sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide.

What is the SMILES notation for sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?

The canonical SMILES for sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide is CC(=O)NC1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=S(=O)(O)O.

What is the InChIKey of sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?

The InChIKey is DTCULTCXKULMHI-DBKUKYHUSA-N. The full InChI is InChI=1S/C8H15NO7.H2O4S/c1-3(11)9-8(15)7(14)6(13)5(12)4(2-10)16-8;1-5(2,3)4/h4-7,10,12-15H,2H2,1H3,(H,9,11);(H2,1,2,3,4)/t4-,5-,6+,7-,8?;/m1./s1.

What are the key properties of sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?

sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide has a molecular weight of 335.29 g/mol, XLogP of -4.41, 2 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide is sourced from PubChem (CID 141457173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).