[(2S)-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamic acid

C10H18N2O8 — CID 71281476

About [(2S)-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamic acid

[(2S)-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamic acid (PubChem CID 71281476) has the molecular formula C10H18N2O8 and a molecular weight of 294.26 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2S)-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamic acid
• PubChem CID: 71281476
• Molecular Formula: C10H18N2O8
• Molecular Weight: 294.26 g/mol
• Exact Mass: 294.11
• IUPAC Name: [(2S)-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamic acid
• SMILES: C[C@H](NC(=O)O)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
• InChI: InChI=1S/C10H18N2O8/c1-3(11-10(18)19)8(16)12-5-7(15)6(14)4(2-13)20-9(5)17/h3-7,9,11,13-15,17H,2H2,1H3,(H,12,16)(H,18,19)/t3-,4+,5+,6+,7+,9+/m0/s1
• InChIKey: FNTWWWLZUPHLKM-LSRLBZCKSA-N
• XLogP: -3.44
• TPSA: 168.58 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	294.26
LogP ≤ 5	-3.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamic acid?

The IUPAC name of [(2S)-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamic acid (CID 71281476) is [(2S)-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamic acid.

What is the SMILES notation for [(2S)-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamic acid?

The canonical SMILES for [(2S)-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamic acid is C[C@H](NC(=O)O)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.

What is the InChIKey of [(2S)-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamic acid?

The InChIKey is FNTWWWLZUPHLKM-LSRLBZCKSA-N. The full InChI is InChI=1S/C10H18N2O8/c1-3(11-10(18)19)8(16)12-5-7(15)6(14)4(2-13)20-9(5)17/h3-7,9,11,13-15,17H,2H2,1H3,(H,12,16)(H,18,19)/t3-,4+,5+,6+,7+,9+/m0/s1.

What are the key properties of [(2S)-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamic acid?

[(2S)-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamic acid has a molecular weight of 294.26 g/mol, XLogP of -3.44, 4 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]carbamic acid is sourced from PubChem (CID 71281476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).