5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide

C9H16N2O6 — CID 123259046

IUPAC5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide
SMILESCC(=O)NC1COC(CO)(C(N)=O)C(O)C1O
InChIInChI=1S/C9H16N2O6/c1-4(13)11-5-2-17-9(3-12,8(10)16)7(15)6(5)14/h5-7,12,14-15H,2-3H2,1H3,(H2,10,16)(H,11,13)
InChIKeyGUTVVQXRYRIFTB-UHFFFAOYSA-N
MW248.23 g/mol
LogP-3.54
Rot. Bonds3

About 5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide

5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide (PubChem CID 123259046) has the molecular formula C9H16N2O6 and a molecular weight of 248.23 g/mol. Its IUPAC name is 5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide
PubChem CID123259046
Molecular FormulaC9H16N2O6
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide
SMILESCC(=O)NC1COC(CO)(C(N)=O)C(O)C1O
InChIInChI=1S/C9H16N2O6/c1-4(13)11-5-2-17-9(3-12,8(10)16)7(15)6(5)14/h5-7,12,14-15H,2-3H2,1H3,(H2,10,16)(H,11,13)
InChIKeyGUTVVQXRYRIFTB-UHFFFAOYSA-N
XLogP-3.54
TPSA142.11 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-3.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide?
The IUPAC name of 5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide (CID 123259046) is 5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide.
What is the SMILES notation for 5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide?
The canonical SMILES for 5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide is CC(=O)NC1COC(CO)(C(N)=O)C(O)C1O.
What is the InChIKey of 5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide?
The InChIKey is GUTVVQXRYRIFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6/c1-4(13)11-5-2-17-9(3-12,8(10)16)7(15)6(5)14/h5-7,12,14-15H,2-3H2,1H3,(H2,10,16)(H,11,13).
What are the key properties of 5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide?
5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide has a molecular weight of 248.23 g/mol, XLogP of -3.54, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)oxane-2-carboxamide is sourced from PubChem (CID 123259046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).