(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione

C6H8O8 — CID 57197029

IUPAC(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione
SMILESO=C1O[C@](O)([C@@H](O)CO)C(OO)C1=O
InChIInChI=1S/C6H8O8/c7-1-2(8)6(11)4(14-12)3(9)5(10)13-6/h2,4,7-8,11-12H,1H2/t2-,4?,6+/m0/s1
InChIKeyWUCKXJAFKBHHPJ-WBHHNASESA-N
MW208.12 g/mol
LogP-2.99
Rot. Bonds3

About (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione

(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione (PubChem CID 57197029) has the molecular formula C6H8O8 and a molecular weight of 208.12 g/mol. Its IUPAC name is (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione.

Molecular Properties

Compound Name(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione
PubChem CID57197029
Molecular FormulaC6H8O8
Molecular Weight208.12 g/mol
Exact Mass208.02
IUPAC Name(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione
SMILESO=C1O[C@](O)([C@@H](O)CO)C(OO)C1=O
InChIInChI=1S/C6H8O8/c7-1-2(8)6(11)4(14-12)3(9)5(10)13-6/h2,4,7-8,11-12H,1H2/t2-,4?,6+/m0/s1
InChIKeyWUCKXJAFKBHHPJ-WBHHNASESA-N
XLogP-2.99
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.12
LogP ≤ 5-2.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione?
The IUPAC name of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione (CID 57197029) is (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione.
What is the SMILES notation for (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione?
The canonical SMILES for (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione is O=C1O[C@](O)([C@@H](O)CO)C(OO)C1=O.
What is the InChIKey of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione?
The InChIKey is WUCKXJAFKBHHPJ-WBHHNASESA-N. The full InChI is InChI=1S/C6H8O8/c7-1-2(8)6(11)4(14-12)3(9)5(10)13-6/h2,4,7-8,11-12H,1H2/t2-,4?,6+/m0/s1.
What are the key properties of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione?
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione has a molecular weight of 208.12 g/mol, XLogP of -2.99, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione is sourced from PubChem (CID 57197029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).