(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one

C6H7O9P — CID 90048246

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1OP1(=O)OO1
InChIInChI=1S/C6H7O9P/c7-1-2(8)4-3(9)5(6(10)12-4)13-16(11)14-15-16/h2,4,7-9H,1H2/t2-,4+/m0/s1
InChIKeyQMMKRNKTRFXSBV-ZAFYKAAXSA-N
MW254.09 g/mol
LogP-0.88
Rot. Bonds4

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one (PubChem CID 90048246) has the molecular formula C6H7O9P and a molecular weight of 254.09 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one
PubChem CID90048246
Molecular FormulaC6H7O9P
Molecular Weight254.09 g/mol
Exact Mass253.98
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1OP1(=O)OO1
InChIInChI=1S/C6H7O9P/c7-1-2(8)4-3(9)5(6(10)12-4)13-16(11)14-15-16/h2,4,7-9H,1H2/t2-,4+/m0/s1
InChIKeyQMMKRNKTRFXSBV-ZAFYKAAXSA-N
XLogP-0.88
TPSA138.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one (CID 90048246) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one is O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP1(=O)OO1.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one?
The InChIKey is QMMKRNKTRFXSBV-ZAFYKAAXSA-N. The full InChI is InChI=1S/C6H7O9P/c7-1-2(8)4-3(9)5(6(10)12-4)13-16(11)14-15-16/h2,4,7-9H,1H2/t2-,4+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one has a molecular weight of 254.09 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one is sourced from PubChem (CID 90048246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).