(5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione

C6H8O6 — CID 71616927

IUPAC(5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione
SMILESO=C1C(O)[13C](=O)O[C@@H]1C(O)CO
InChIInChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,4-5,7-8,10H,1H2/t2?,4?,5-/m1/s1/i6+1
InChIKeyPJBQWWHYTVYMLO-BCXCAERHSA-N
MW177.12 g/mol
LogP-2.81
Rot. Bonds2

About (5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione

(5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione (PubChem CID 71616927) has the molecular formula C6H8O6 and a molecular weight of 177.12 g/mol. Its IUPAC name is (5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione
PubChem CID71616927
Molecular FormulaC6H8O6
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name(5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione
SMILESO=C1C(O)[13C](=O)O[C@@H]1C(O)CO
InChIInChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,4-5,7-8,10H,1H2/t2?,4?,5-/m1/s1/i6+1
InChIKeyPJBQWWHYTVYMLO-BCXCAERHSA-N
XLogP-2.81
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 5-2.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
[(5R)-5-[(1S)-1,2-dihydroxyethyl]-2,4-dioxooxolan-3-yl] dihydrogen phosphate
CID 7168051
[(1S)-2-hydroxy-1-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethoxy]boronic acid
CID 57052090
dialuminum;tris([(5S)-5-[(1R)-1,2-dihydroxyethyl]-2,4-dioxooxolan-3-yl] phosphate)
CID 10234436
[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 3-iodoprop-2-enoate
CID 91078937
[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] hexadecanoate
CID 54481359
[5-(1,2-dihydroxyethyl)-2,4-dioxooxolan-3-yl] methyl hydrogen phosphate
CID 90707891
5-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)methoxy]-1-hydroxyethyl]-3-hydroxyoxolane-2,4-dione
CID 90951767
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]-4-hydroxy-2H-furan-5-one
CID 66655329
(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
(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione;dihydrate
CID 90117374

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione?
The IUPAC name of (5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione (CID 71616927) is (5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione.
What is the SMILES notation for (5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione?
The canonical SMILES for (5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione is O=C1C(O)[13C](=O)O[C@@H]1C(O)CO.
What is the InChIKey of (5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione?
The InChIKey is PJBQWWHYTVYMLO-BCXCAERHSA-N. The full InChI is InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,4-5,7-8,10H,1H2/t2?,4?,5-/m1/s1/i6+1.
What are the key properties of (5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione?
(5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione has a molecular weight of 177.12 g/mol, XLogP of -2.81, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione is sourced from PubChem (CID 71616927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).