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

C8H19N2O9P — CID 175895258

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

N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide;phosphoric acid (PubChem CID 175895258) has the molecular formula C8H19N2O9P and a molecular weight of 318.22 g/mol. Its IUPAC name is N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide;phosphoric acid.

Molecular Properties

• Compound Name: N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide;phosphoric acid
• PubChem CID: 175895258
• Molecular Formula: C8H19N2O9P
• Molecular Weight: 318.22 g/mol
• Exact Mass: 318.08
• IUPAC Name: N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide;phosphoric acid
• SMILES: CC(=O)NC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.O=P(O)(O)O
• InChI: InChI=1S/C8H16N2O5.H3O4P/c1-3(12)10-8-5(9)7(14)6(13)4(2-11)15-8;1-5(2,3)4/h4-8,11,13-14H,2,9H2,1H3,(H,10,12);(H3,1,2,3,4)/t4-,5-,6-,7-,8?;/m1./s1
• InChIKey: PHIWWYQUPMAGEZ-FROKLYQUSA-N
• XLogP: -4.04
• TPSA: 202.80 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	318.22
LogP ≤ 5	-4.04
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide;phosphoric acid (CID 175895258) is N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide;phosphoric acid.

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

The canonical SMILES for N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide;phosphoric acid is CC(=O)NC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.O=P(O)(O)O.

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

The InChIKey is PHIWWYQUPMAGEZ-FROKLYQUSA-N. The full InChI is InChI=1S/C8H16N2O5.H3O4P/c1-3(12)10-8-5(9)7(14)6(13)4(2-11)15-8;1-5(2,3)4/h4-8,11,13-14H,2,9H2,1H3,(H,10,12);(H3,1,2,3,4)/t4-,5-,6-,7-,8?;/m1./s1.

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

N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide;phosphoric acid has a molecular weight of 318.22 g/mol, XLogP of -4.04, 2 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide;phosphoric acid is sourced from PubChem (CID 175895258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).