(3S,6S)-3,6-dihydro-2H-pyran-3,6-diol

C5H8O3 — CID 139245955

IUPAC(3S,6S)-3,6-dihydro-2H-pyran-3,6-diol
SMILESO[C@@H]1C=C[C@H](O)CO1
InChIInChI=1S/C5H8O3/c6-4-1-2-5(7)8-3-4/h1-2,4-7H,3H2/t4-,5-/m0/s1
InChIKeyGXVLNIUZIZIXAQ-WHFBIAKZSA-N
MW116.12 g/mol
LogP-0.75
Rot. Bonds

About (3S,6S)-3,6-dihydro-2H-pyran-3,6-diol

(3S,6S)-3,6-dihydro-2H-pyran-3,6-diol (PubChem CID 139245955) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (3S,6S)-3,6-dihydro-2H-pyran-3,6-diol.

Molecular Properties

Compound Name(3S,6S)-3,6-dihydro-2H-pyran-3,6-diol
PubChem CID139245955
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(3S,6S)-3,6-dihydro-2H-pyran-3,6-diol
SMILESO[C@@H]1C=C[C@H](O)CO1
InChIInChI=1S/C5H8O3/c6-4-1-2-5(7)8-3-4/h1-2,4-7H,3H2/t4-,5-/m0/s1
InChIKeyGXVLNIUZIZIXAQ-WHFBIAKZSA-N
XLogP-0.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (3S,6S)-3,6-dihydro-2H-pyran-3,6-diol?
The IUPAC name of (3S,6S)-3,6-dihydro-2H-pyran-3,6-diol (CID 139245955) is (3S,6S)-3,6-dihydro-2H-pyran-3,6-diol.
What is the SMILES notation for (3S,6S)-3,6-dihydro-2H-pyran-3,6-diol?
The canonical SMILES for (3S,6S)-3,6-dihydro-2H-pyran-3,6-diol is O[C@@H]1C=C[C@H](O)CO1.
What is the InChIKey of (3S,6S)-3,6-dihydro-2H-pyran-3,6-diol?
The InChIKey is GXVLNIUZIZIXAQ-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H8O3/c6-4-1-2-5(7)8-3-4/h1-2,4-7H,3H2/t4-,5-/m0/s1.
What are the key properties of (3S,6S)-3,6-dihydro-2H-pyran-3,6-diol?
(3S,6S)-3,6-dihydro-2H-pyran-3,6-diol has a molecular weight of 116.12 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3,6-dihydro-2H-pyran-3,6-diol is sourced from PubChem (CID 139245955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).