[(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid

C6H9BO8 — CID 57052090

IUPAC[(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid
SMILESO=C1O[C@H]([C@H](CO)OB(O)O)C(=O)C1O
InChIInChI=1S/C6H9BO8/c8-1-2(15-7(12)13)5-3(9)4(10)6(11)14-5/h2,4-5,8,10,12-13H,1H2/t2-,4?,5+/m0/s1
InChIKeyNYBGIZJTSNHYAJ-LZUUPNLKSA-N
MW219.94 g/mol
LogP-3.81
Rot. Bonds4

About [(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid

[(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid (PubChem CID 57052090) has the molecular formula C6H9BO8 and a molecular weight of 219.94 g/mol. Its IUPAC name is [(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid.

Molecular Properties

Compound Name[(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid
PubChem CID57052090
Molecular FormulaC6H9BO8
Molecular Weight219.94 g/mol
Exact Mass220.04
IUPAC Name[(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid
SMILESO=C1O[C@H]([C@H](CO)OB(O)O)C(=O)C1O
InChIInChI=1S/C6H9BO8/c8-1-2(15-7(12)13)5-3(9)4(10)6(11)14-5/h2,4-5,8,10,12-13H,1H2/t2-,4?,5+/m0/s1
InChIKeyNYBGIZJTSNHYAJ-LZUUPNLKSA-N
XLogP-3.81
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.94
LogP ≤ 5-3.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic 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

(5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione
CID 71616927
(5R)-3-hydroxy-5-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxolane-2,4-dione
CID 54372095
[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 3-iodoprop-2-enoate
CID 91078937
3-hydroxy-5-[1-hydroxy-2-[4-[1-[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethyl]oxolane-2,4-dione
CID 123228436
(2S)-2-ethyl-4-hydroxy-4-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]butanoic acid
CID 91034409
5-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)methoxy]-1-hydroxyethyl]-3-hydroxyoxolane-2,4-dione
CID 90951767
[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] hexadecanoate
CID 54481359
[(5R)-5-[(1S)-1,2-dihydroxyethyl]-2,4-dioxooxolan-3-yl] dihydrogen phosphate
CID 7168051
(5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione
CID 89347160
dialuminum;tris([(5S)-5-[(1R)-1,2-dihydroxyethyl]-2,4-dioxooxolan-3-yl] phosphate)
CID 10234436
(4S,5R)-5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one
CID 24802183
(3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
CID 1149778

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid?
The IUPAC name of [(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid (CID 57052090) is [(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid.
What is the SMILES notation for [(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid?
The canonical SMILES for [(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid is O=C1O[C@H]([C@H](CO)OB(O)O)C(=O)C1O.
What is the InChIKey of [(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid?
The InChIKey is NYBGIZJTSNHYAJ-LZUUPNLKSA-N. The full InChI is InChI=1S/C6H9BO8/c8-1-2(15-7(12)13)5-3(9)4(10)6(11)14-5/h2,4-5,8,10,12-13H,1H2/t2-,4?,5+/m0/s1.
What are the key properties of [(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid?
[(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid has a molecular weight of 219.94 g/mol, XLogP of -3.81, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid is sourced from PubChem (CID 57052090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).