2H-pyran-2,3,4,6-tetrol

C5H6O5 — CID 68717687

IUPAC2H-pyran-2,3,4,6-tetrol
SMILESOC1=CC(O)=C(O)C(O)O1
InChIInChI=1S/C5H6O5/c6-2-1-3(7)10-5(9)4(2)8/h1,5-9H
InChIKeyCBMQOBMTDCOZOB-UHFFFAOYSA-N
MW146.10 g/mol
LogP0.06
Rot. Bonds

About 2H-pyran-2,3,4,6-tetrol

2H-pyran-2,3,4,6-tetrol (PubChem CID 68717687) has the molecular formula C5H6O5 and a molecular weight of 146.10 g/mol. Its IUPAC name is 2H-pyran-2,3,4,6-tetrol.

Molecular Properties

Compound Name2H-pyran-2,3,4,6-tetrol
PubChem CID68717687
Molecular FormulaC5H6O5
Molecular Weight146.10 g/mol
Exact Mass146.02
IUPAC Name2H-pyran-2,3,4,6-tetrol
SMILESOC1=CC(O)=C(O)C(O)O1
InChIInChI=1S/C5H6O5/c6-2-1-3(7)10-5(9)4(2)8/h1,5-9H
InChIKeyCBMQOBMTDCOZOB-UHFFFAOYSA-N
XLogP0.06
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-2,3,4,6-tetrol?
The IUPAC name of 2H-pyran-2,3,4,6-tetrol (CID 68717687) is 2H-pyran-2,3,4,6-tetrol.
What is the SMILES notation for 2H-pyran-2,3,4,6-tetrol?
The canonical SMILES for 2H-pyran-2,3,4,6-tetrol is OC1=CC(O)=C(O)C(O)O1.
What is the InChIKey of 2H-pyran-2,3,4,6-tetrol?
The InChIKey is CBMQOBMTDCOZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O5/c6-2-1-3(7)10-5(9)4(2)8/h1,5-9H.
What are the key properties of 2H-pyran-2,3,4,6-tetrol?
2H-pyran-2,3,4,6-tetrol has a molecular weight of 146.10 g/mol, XLogP of 0.06, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-2,3,4,6-tetrol is sourced from PubChem (CID 68717687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).