(2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol

C7H12O4 — CID 10329559

IUPAC(2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCO[C@@H]1C=C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H12O4/c1-10-7-3-2-5(9)6(4-8)11-7/h2-3,5-9H,4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyBDSSJXGPGYQORZ-XVMARJQXSA-N
MW160.17 g/mol
LogP-0.73
Rot. Bonds2

About (2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol

(2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 10329559) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID10329559
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCO[C@@H]1C=C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H12O4/c1-10-7-3-2-5(9)6(4-8)11-7/h2-3,5-9H,4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyBDSSJXGPGYQORZ-XVMARJQXSA-N
XLogP-0.73
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol (CID 10329559) is (2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol is CO[C@@H]1C=C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is BDSSJXGPGYQORZ-XVMARJQXSA-N. The full InChI is InChI=1S/C7H12O4/c1-10-7-3-2-5(9)6(4-8)11-7/h2-3,5-9H,4H2,1H3/t5-,6+,7-/m0/s1.
What are the key properties of (2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
(2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 160.17 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 10329559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).