sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid

C6H14NNaO8S — CID 175673129

About sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid

sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid (PubChem CID 175673129) has the molecular formula C6H14NNaO8S and a molecular weight of 283.23 g/mol. Its IUPAC name is sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid.

Molecular Properties

• Compound Name: sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid
• PubChem CID: 175673129
• Molecular Formula: C6H14NNaO8S
• Molecular Weight: 283.23 g/mol
• Exact Mass: 283.03
• IUPAC Name: sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid
• SMILES: O=S(=O)(O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O.[H-].[Na+]
• InChI: InChI=1S/C6H13NO8S.Na.H/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14;;/h2-11H,1H2,(H,12,13,14);;/q;+1;-1/t2-,3-,4+,5-,6+;;/m1../s1
• InChIKey: HRRXNQJUNQCXON-UZUGEDCSSA-N
• XLogP: -6.70
• TPSA: 156.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	283.23
LogP ≤ 5	-6.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid?

The IUPAC name of sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid (CID 175673129) is sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid.

What is the SMILES notation for sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid?

The canonical SMILES for sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid is O=S(=O)(O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O.[H-].[Na+].

What is the InChIKey of sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid?

The InChIKey is HRRXNQJUNQCXON-UZUGEDCSSA-N. The full InChI is InChI=1S/C6H13NO8S.Na.H/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14;;/h2-11H,1H2,(H,12,13,14);;/q;+1;-1/t2-,3-,4+,5-,6+;;/m1../s1.

What are the key properties of sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid?

sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid has a molecular weight of 283.23 g/mol, XLogP of -6.70, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid is sourced from PubChem (CID 175673129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).