(4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one

C7H10O5 — CID 58369223

IUPAC(4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one
SMILESO=C1C[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C7H10O5/c8-2-5(10)3-1-4(9)7(12)6(3)11/h3,5,8,10-12H,1-2H2/t3-,5+/m1/s1
InChIKeyNKUOYLGIAPXYPV-WUJLRWPWSA-N
MW174.15 g/mol
LogP-0.74
Rot. Bonds2

About (4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one

(4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one (PubChem CID 58369223) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is (4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one
PubChem CID58369223
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name(4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one
SMILESO=C1C[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C7H10O5/c8-2-5(10)3-1-4(9)7(12)6(3)11/h3,5,8,10-12H,1-2H2/t3-,5+/m1/s1
InChIKeyNKUOYLGIAPXYPV-WUJLRWPWSA-N
XLogP-0.74
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one?
The IUPAC name of (4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one (CID 58369223) is (4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one is O=C1C[C@H]([C@@H](O)CO)C(O)=C1O.
What is the InChIKey of (4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one?
The InChIKey is NKUOYLGIAPXYPV-WUJLRWPWSA-N. The full InChI is InChI=1S/C7H10O5/c8-2-5(10)3-1-4(9)7(12)6(3)11/h3,5,8,10-12H,1-2H2/t3-,5+/m1/s1.
What are the key properties of (4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one?
(4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one has a molecular weight of 174.15 g/mol, XLogP of -0.74, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one is sourced from PubChem (CID 58369223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).