(2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid

C11H19NO9 — CID 172708521

IUPAC(2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
SMILESC[C@@H](O[C@@H]1CC(O)(NC(=O)CO)O[C@H](CO)[C@H]1O)C(=O)O
InChIInChI=1S/C11H19NO9/c1-5(10(17)18)20-6-2-11(19,12-8(15)4-14)21-7(3-13)9(6)16/h5-7,9,13-14,16,19H,2-4H2,1H3,(H,12,15)(H,17,18)/t5-,6-,7-,9+,11?/m1/s1
InChIKeyDXRADBGVWKTASK-RDKIJXGQSA-N
MW309.27 g/mol
LogP-3.26
Rot. Bonds6

About (2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid

(2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid (PubChem CID 172708521) has the molecular formula C11H19NO9 and a molecular weight of 309.27 g/mol. Its IUPAC name is (2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
PubChem CID172708521
Molecular FormulaC11H19NO9
Molecular Weight309.27 g/mol
Exact Mass309.11
IUPAC Name(2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
SMILESC[C@@H](O[C@@H]1CC(O)(NC(=O)CO)O[C@H](CO)[C@H]1O)C(=O)O
InChIInChI=1S/C11H19NO9/c1-5(10(17)18)20-6-2-11(19,12-8(15)4-14)21-7(3-13)9(6)16/h5-7,9,13-14,16,19H,2-4H2,1H3,(H,12,15)(H,17,18)/t5-,6-,7-,9+,11?/m1/s1
InChIKeyDXRADBGVWKTASK-RDKIJXGQSA-N
XLogP-3.26
TPSA165.78 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.27
LogP ≤ 5-3.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,4S,5R,6R)-2-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
CID 57322958
2-[(2S,3S,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
CID 126968561
(2S)-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoic acid
CID 102024646
(2S)-2-[(4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoic acid
CID 135130488
2-[(3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid;2-hydrazinylpropanoic acid
CID 174646843
(2R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
CID 7058171
(2S)-3-hydroxy-2-[[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methylamino]butanoic acid
CID 131752246
2-[acetyl-[3-amino-4-(1-carboxyethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propanoic acid
CID 156963527
sulfuric acid;N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 141457173
(3S)-2-[(2S)-1-[(3S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2,2-dimethyloxan-4-yl]oxy-2,3-dihydroxypropoxy]-3-hydroxybutanoic acid
CID 174086393
(2R)-2-[(3R,4R,5S,6R)-3-amino-2-azido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
CID 142450264
(2S)-2-(oxetan-3-yloxy)propanoic acid
CID 103338261

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid?
The IUPAC name of (2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid (CID 172708521) is (2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid.
What is the SMILES notation for (2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid?
The canonical SMILES for (2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid is C[C@@H](O[C@@H]1CC(O)(NC(=O)CO)O[C@H](CO)[C@H]1O)C(=O)O.
What is the InChIKey of (2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid?
The InChIKey is DXRADBGVWKTASK-RDKIJXGQSA-N. The full InChI is InChI=1S/C11H19NO9/c1-5(10(17)18)20-6-2-11(19,12-8(15)4-14)21-7(3-13)9(6)16/h5-7,9,13-14,16,19H,2-4H2,1H3,(H,12,15)(H,17,18)/t5-,6-,7-,9+,11?/m1/s1.
What are the key properties of (2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid?
(2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid has a molecular weight of 309.27 g/mol, XLogP of -3.26, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,5S,6R)-2,5-dihydroxy-2-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid is sourced from PubChem (CID 172708521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).