[(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate

C6H6O9P-3 — CID 54735473

IUPAC[(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate
SMILESO=C1O[C@H]([C@@H](O)COP(=O)([O-])[O-])C(O)=C1[O-]
InChIInChI=1S/C6H9O9P/c7-2(1-14-16(11,12)13)5-3(8)4(9)6(10)15-5/h2,5,7-9H,1H2,(H2,11,12,13)/p-3/t2-,5+/m0/s1
InChIKeyKIENGQUGHPTFGC-JLAZNSOCSA-K
MW253.08 g/mol
LogP-3.75
Rot. Bonds4

About [(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate

[(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate (PubChem CID 54735473) has the molecular formula C6H6O9P-3 and a molecular weight of 253.08 g/mol. Its IUPAC name is [(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate.

Molecular Properties

Compound Name[(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate
PubChem CID54735473
Molecular FormulaC6H6O9P-3
Molecular Weight253.08 g/mol
Exact Mass252.98
IUPAC Name[(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate
SMILESO=C1O[C@H]([C@@H](O)COP(=O)([O-])[O-])C(O)=C1[O-]
InChIInChI=1S/C6H9O9P/c7-2(1-14-16(11,12)13)5-3(8)4(9)6(10)15-5/h2,5,7-9H,1H2,(H2,11,12,13)/p-3/t2-,5+/m0/s1
InChIKeyKIENGQUGHPTFGC-JLAZNSOCSA-K
XLogP-3.75
TPSA162.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 5-3.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate?
The IUPAC name of [(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate (CID 54735473) is [(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate.
What is the SMILES notation for [(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate?
The canonical SMILES for [(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate is O=C1O[C@H]([C@@H](O)COP(=O)([O-])[O-])C(O)=C1[O-].
What is the InChIKey of [(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate?
The InChIKey is KIENGQUGHPTFGC-JLAZNSOCSA-K. The full InChI is InChI=1S/C6H9O9P/c7-2(1-14-16(11,12)13)5-3(8)4(9)6(10)15-5/h2,5,7-9H,1H2,(H2,11,12,13)/p-3/t2-,5+/m0/s1.
What are the key properties of [(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate?
[(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate has a molecular weight of 253.08 g/mol, XLogP of -3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-2-[(2R)-3-hydroxy-4-oxido-5-oxo-2H-furan-2-yl]ethyl] phosphate is sourced from PubChem (CID 54735473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).