[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite

C6H8O8S — CID 71144881

IUPAC[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1OS(=O)O
InChIInChI=1S/C6H8O8S/c7-1-2(8)4-3(9)5(6(10)13-4)14-15(11)12/h2,4,7-9H,1H2,(H,11,12)/t2-,4+/m0/s1
InChIKeyZNPJRJYMMVIQIC-ZAFYKAAXSA-N
MW240.19 g/mol
LogP-1.81
Rot. Bonds4

About [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite

[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite (PubChem CID 71144881) has the molecular formula C6H8O8S and a molecular weight of 240.19 g/mol. Its IUPAC name is [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite.

Molecular Properties

Compound Name[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite
PubChem CID71144881
Molecular FormulaC6H8O8S
Molecular Weight240.19 g/mol
Exact Mass239.99
IUPAC Name[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1OS(=O)O
InChIInChI=1S/C6H8O8S/c7-1-2(8)4-3(9)5(6(10)13-4)14-15(11)12/h2,4,7-9H,1H2,(H,11,12)/t2-,4+/m0/s1
InChIKeyZNPJRJYMMVIQIC-ZAFYKAAXSA-N
XLogP-1.81
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 54690328
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate
CID 118281516
[2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 130404672
bis[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen phosphate
CID 165356355
[(2S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfate
CID 90473291
l-ascorbic acid-2-phosphate magnesium salt
CID 54710612
2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 176549717
CID 172873209
CID 172873209
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one
CID 90048246
sodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54719295
azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54713594
CID 175868978
CID 175868978

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite?
The IUPAC name of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite (CID 71144881) is [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite.
What is the SMILES notation for [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite?
The canonical SMILES for [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite is O=C1O[C@H]([C@@H](O)CO)C(O)=C1OS(=O)O.
What is the InChIKey of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite?
The InChIKey is ZNPJRJYMMVIQIC-ZAFYKAAXSA-N. The full InChI is InChI=1S/C6H8O8S/c7-1-2(8)4-3(9)5(6(10)13-4)14-15(11)12/h2,4,7-9H,1H2,(H,11,12)/t2-,4+/m0/s1.
What are the key properties of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite?
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite has a molecular weight of 240.19 g/mol, XLogP of -1.81, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite is sourced from PubChem (CID 71144881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).