5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one

C8H10O5 — CID 162853202

IUPAC5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)occ1[C@@H](O)CO
InChIInChI=1S/C8H10O5/c9-2-5-1-7(11)6(4-13-5)8(12)3-10/h1,4,8-10,12H,2-3H2/t8-/m0/s1
InChIKeyCBFLNAVONDVOHN-QMMMGPOBSA-N
MW186.16 g/mol
LogP-0.84
Rot. Bonds3

About 5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one

5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one (PubChem CID 162853202) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one.

Molecular Properties

Compound Name5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one
PubChem CID162853202
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)occ1[C@@H](O)CO
InChIInChI=1S/C8H10O5/c9-2-5-1-7(11)6(4-13-5)8(12)3-10/h1,4,8-10,12H,2-3H2/t8-/m0/s1
InChIKeyCBFLNAVONDVOHN-QMMMGPOBSA-N
XLogP-0.84
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one?
The IUPAC name of 5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one (CID 162853202) is 5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one.
What is the SMILES notation for 5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one?
The canonical SMILES for 5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one is O=c1cc(CO)occ1[C@@H](O)CO.
What is the InChIKey of 5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one?
The InChIKey is CBFLNAVONDVOHN-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10O5/c9-2-5-1-7(11)6(4-13-5)8(12)3-10/h1,4,8-10,12H,2-3H2/t8-/m0/s1.
What are the key properties of 5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one?
5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one has a molecular weight of 186.16 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)pyran-4-one is sourced from PubChem (CID 162853202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).