5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid

C11H17NO8 — CID 90979854

IUPAC5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid
SMILESCOC1(C(=O)O)CC(O)C(NC(C)=O)C(C(=O)CO)O1
InChIInChI=1S/C11H17NO8/c1-5(14)12-8-6(15)3-11(19-2,10(17)18)20-9(8)7(16)4-13/h6,8-9,13,15H,3-4H2,1-2H3,(H,12,14)(H,17,18)
InChIKeySLDMSSGWAQJAAL-UHFFFAOYSA-N
MW291.26 g/mol
LogP-2.37
Rot. Bonds5

About 5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid

5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid (PubChem CID 90979854) has the molecular formula C11H17NO8 and a molecular weight of 291.26 g/mol. Its IUPAC name is 5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid
PubChem CID90979854
Molecular FormulaC11H17NO8
Molecular Weight291.26 g/mol
Exact Mass291.10
IUPAC Name5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid
SMILESCOC1(C(=O)O)CC(O)C(NC(C)=O)C(C(=O)CO)O1
InChIInChI=1S/C11H17NO8/c1-5(14)12-8-6(15)3-11(19-2,10(17)18)20-9(8)7(16)4-13/h6,8-9,13,15H,3-4H2,1-2H3,(H,12,14)(H,17,18)
InChIKeySLDMSSGWAQJAAL-UHFFFAOYSA-N
XLogP-2.37
TPSA142.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 5-2.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-acetamido-6-[3-[5-acetamido-2-carboxy-6-(1,2-dihydroxybutyl)-4-hydroxyoxan-2-yl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylic acid
CID 164764589
(2R,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[[2-(tert-butylamino)-2-oxoacetyl]amino]-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylic acid
CID 122185465
(2R,4S,5R)-4-hydroxy-2-methoxy-5-(4-oxopentanoylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 58718665
(4S,5R,6R)-5-acetamido-4-hydroxy-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 175567334
benzhydryl (2S,4S,5R,6R)-5-acetamido-6-[(1S)-1,3-dihydroxy-2-oxopropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate
CID 14505078
(2R,5R)-5-acetamido-4-hydroxy-2-[(3R)-2,3,4,5-tetrahydroxypentoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 71287920
(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-prop-2-enoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 14072189
(2S,4S,5R,6R)-4-hydroxy-2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 44583547
(2S,4S,5R,6R)-5-benzamido-4-hydroxy-2-methoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 44583544
(2R,4S,5R,6R)-5-acetamido-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 69012124
5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)-2-[(3E,5E)-3,6,7-trimethylocta-3,5-dien-1-yn-4-yl]oxyoxane-2-carboxylic acid
CID 139317105
(2R,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 5497114

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid?
The IUPAC name of 5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid (CID 90979854) is 5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid.
What is the SMILES notation for 5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid?
The canonical SMILES for 5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid is COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(=O)CO)O1.
What is the InChIKey of 5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid?
The InChIKey is SLDMSSGWAQJAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO8/c1-5(14)12-8-6(15)3-11(19-2,10(17)18)20-9(8)7(16)4-13/h6,8-9,13,15H,3-4H2,1-2H3,(H,12,14)(H,17,18).
What are the key properties of 5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid?
5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid has a molecular weight of 291.26 g/mol, XLogP of -2.37, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4-hydroxy-6-(2-hydroxyacetyl)-2-methoxyoxane-2-carboxylic acid is sourced from PubChem (CID 90979854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).