5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol

C10H16O5 — CID 44566908

IUPAC5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol
SMILESCC[C@H](O)C1=C(CO)C(OC)=CC(O)O1
InChIInChI=1S/C10H16O5/c1-3-7(12)10-6(5-11)8(14-2)4-9(13)15-10/h4,7,9,11-13H,3,5H2,1-2H3/t7-,9?/m0/s1
InChIKeyOEFHOBYLAXIGLN-JAVCKPHESA-N
MW216.23 g/mol
LogP-0.12
Rot. Bonds4

About 5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol

5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol (PubChem CID 44566908) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol
PubChem CID44566908
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol
SMILESCC[C@H](O)C1=C(CO)C(OC)=CC(O)O1
InChIInChI=1S/C10H16O5/c1-3-7(12)10-6(5-11)8(14-2)4-9(13)15-10/h4,7,9,11-13H,3,5H2,1-2H3/t7-,9?/m0/s1
InChIKeyOEFHOBYLAXIGLN-JAVCKPHESA-N
XLogP-0.12
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol?
The IUPAC name of 5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol (CID 44566908) is 5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol.
What is the SMILES notation for 5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol?
The canonical SMILES for 5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol is CC[C@H](O)C1=C(CO)C(OC)=CC(O)O1.
What is the InChIKey of 5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol?
The InChIKey is OEFHOBYLAXIGLN-JAVCKPHESA-N. The full InChI is InChI=1S/C10H16O5/c1-3-7(12)10-6(5-11)8(14-2)4-9(13)15-10/h4,7,9,11-13H,3,5H2,1-2H3/t7-,9?/m0/s1.
What are the key properties of 5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol?
5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol has a molecular weight of 216.23 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol is sourced from PubChem (CID 44566908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).