2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol

C6H10O5 — CID 77354367

IUPAC2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol
SMILESOCC1OC(O)C(O)=CC1O
InChIInChI=1S/C6H10O5/c7-2-5-3(8)1-4(9)6(10)11-5/h1,3,5-10H,2H2
InChIKeyJERQGHMUEPAJJK-UHFFFAOYSA-N
MW162.14 g/mol
LogP-1.50
Rot. Bonds1

About 2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol

2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol (PubChem CID 77354367) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol
PubChem CID77354367
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol
SMILESOCC1OC(O)C(O)=CC1O
InChIInChI=1S/C6H10O5/c7-2-5-3(8)1-4(9)6(10)11-5/h1,3,5-10H,2H2
InChIKeyJERQGHMUEPAJJK-UHFFFAOYSA-N
XLogP-1.50
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol?
The IUPAC name of 2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol (CID 77354367) is 2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol.
What is the SMILES notation for 2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol?
The canonical SMILES for 2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol is OCC1OC(O)C(O)=CC1O.
What is the InChIKey of 2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol?
The InChIKey is JERQGHMUEPAJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c7-2-5-3(8)1-4(9)6(10)11-5/h1,3,5-10H,2H2.
What are the key properties of 2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol?
2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol has a molecular weight of 162.14 g/mol, XLogP of -1.50, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,5,6-triol is sourced from PubChem (CID 77354367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).