potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate

C6H8KO9P — CID 141096159

IUPACpotassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate
SMILESO=C1O[C@H]([C@@H](O)CO)C([O-])=C1OP(=O)(O)O.[K+]
InChIInChI=1S/C6H9O9P.K/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;/h2,4,7-9H,1H2,(H2,11,12,13);/q;+1/p-1/t2-,4+;/m0./s1
InChIKeySWWJVOBBGQEJDV-LEJBHHMKSA-M
MW294.19 g/mol
LogP-6.05
Rot. Bonds4

About potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate

potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate (PubChem CID 141096159) has the molecular formula C6H8KO9P and a molecular weight of 294.19 g/mol. Its IUPAC name is potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate.

Molecular Properties

Compound Namepotassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate
PubChem CID141096159
Molecular FormulaC6H8KO9P
Molecular Weight294.19 g/mol
Exact Mass293.95
IUPAC Namepotassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate
SMILESO=C1O[C@H]([C@@H](O)CO)C([O-])=C1OP(=O)(O)O.[K+]
InChIInChI=1S/C6H9O9P.K/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;/h2,4,7-9H,1H2,(H2,11,12,13);/q;+1/p-1/t2-,4+;/m0./s1
InChIKeySWWJVOBBGQEJDV-LEJBHHMKSA-M
XLogP-6.05
TPSA156.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 5-6.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', '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
[2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 130404672
l-ascorbic acid-2-phosphate magnesium salt
CID 54710612
CID 172873209
CID 172873209
sodium 2-(1,2-dihydroxyethyl)-5-oxo-3-phosphonooxy-2H-furan-4-olate
CID 101209518
trimagnesium;tris([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate);tris([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate)
CID 172741152
sodium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-sulfooxy-2H-furan-3-olate
CID 102065491
potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate
CID 140550032
sodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate
CID 23683938
bis[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen phosphate
CID 165356355
sodium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen phosphate
CID 54740887
sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate
CID 23696296

Frequently Asked Questions

What is the IUPAC name of potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate?
The IUPAC name of potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate (CID 141096159) is potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate.
What is the SMILES notation for potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate?
The canonical SMILES for potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate is O=C1O[C@H]([C@@H](O)CO)C([O-])=C1OP(=O)(O)O.[K+].
What is the InChIKey of potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate?
The InChIKey is SWWJVOBBGQEJDV-LEJBHHMKSA-M. The full InChI is InChI=1S/C6H9O9P.K/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;/h2,4,7-9H,1H2,(H2,11,12,13);/q;+1/p-1/t2-,4+;/m0./s1.
What are the key properties of potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate?
potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate has a molecular weight of 294.19 g/mol, XLogP of -6.05, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate is sourced from PubChem (CID 141096159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).