(6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one

C12H14O6 — CID 11107872

IUPAC(6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one
SMILESO=C1C=C[C@H](O)O[C@H]1CC[C@H]1OC(O)C=CC1=O
InChIInChI=1S/C12H14O6/c13-7-1-5-11(15)17-9(7)3-4-10-8(14)2-6-12(16)18-10/h1-2,5-6,9-12,15-16H,3-4H2/t9-,10+,11+,12?/m0/s1
InChIKeySTZOUSPTFJOCKQ-YZTHKRDXSA-N
MW254.24 g/mol
LogP-0.55
Rot. Bonds3

About (6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one

(6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one (PubChem CID 11107872) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is (6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one.

Molecular Properties

Compound Name(6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one
PubChem CID11107872
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Name(6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one
SMILESO=C1C=C[C@H](O)O[C@H]1CC[C@H]1OC(O)C=CC1=O
InChIInChI=1S/C12H14O6/c13-7-1-5-11(15)17-9(7)3-4-10-8(14)2-6-12(16)18-10/h1-2,5-6,9-12,15-16H,3-4H2/t9-,10+,11+,12?/m0/s1
InChIKeySTZOUSPTFJOCKQ-YZTHKRDXSA-N
XLogP-0.55
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one?
The IUPAC name of (6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one (CID 11107872) is (6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one.
What is the SMILES notation for (6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one?
The canonical SMILES for (6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one is O=C1C=C[C@H](O)O[C@H]1CC[C@H]1OC(O)C=CC1=O.
What is the InChIKey of (6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one?
The InChIKey is STZOUSPTFJOCKQ-YZTHKRDXSA-N. The full InChI is InChI=1S/C12H14O6/c13-7-1-5-11(15)17-9(7)3-4-10-8(14)2-6-12(16)18-10/h1-2,5-6,9-12,15-16H,3-4H2/t9-,10+,11+,12?/m0/s1.
What are the key properties of (6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one?
(6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one has a molecular weight of 254.24 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-hydroxy-6-[2-[(2R,6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]ethyl]-2H-pyran-5-one is sourced from PubChem (CID 11107872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).