[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate

C6H9O7P — CID 171699786

IUPAC[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate
SMILESO=C1C=C[C@@H]([C@@H](O)COP(=O)(O)O)O1
InChIInChI=1S/C6H9O7P/c7-4(3-12-14(9,10)11)5-1-2-6(8)13-5/h1-2,4-5,7H,3H2,(H2,9,10,11)/t4-,5-/m0/s1
InChIKeyRVZUIJFDOXFKMO-WHFBIAKZSA-N
MW224.10 g/mol
LogP-1.06
Rot. Bonds4

About [(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate

[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate (PubChem CID 171699786) has the molecular formula C6H9O7P and a molecular weight of 224.10 g/mol. Its IUPAC name is [(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate
PubChem CID171699786
Molecular FormulaC6H9O7P
Molecular Weight224.10 g/mol
Exact Mass224.01
IUPAC Name[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate
SMILESO=C1C=C[C@@H]([C@@H](O)COP(=O)(O)O)O1
InChIInChI=1S/C6H9O7P/c7-4(3-12-14(9,10)11)5-1-2-6(8)13-5/h1-2,4-5,7H,3H2,(H2,9,10,11)/t4-,5-/m0/s1
InChIKeyRVZUIJFDOXFKMO-WHFBIAKZSA-N
XLogP-1.06
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate?
The IUPAC name of [(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate (CID 171699786) is [(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate.
What is the SMILES notation for [(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate?
The canonical SMILES for [(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate is O=C1C=C[C@@H]([C@@H](O)COP(=O)(O)O)O1.
What is the InChIKey of [(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate?
The InChIKey is RVZUIJFDOXFKMO-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H9O7P/c7-4(3-12-14(9,10)11)5-1-2-6(8)13-5/h1-2,4-5,7H,3H2,(H2,9,10,11)/t4-,5-/m0/s1.
What are the key properties of [(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate?
[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate has a molecular weight of 224.10 g/mol, XLogP of -1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate is sourced from PubChem (CID 171699786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).