furan-2,2,3,3,4-pentol

C4H6O6 — CID 139758413

IUPACfuran-2,2,3,3,4-pentol
SMILESOC1=COC(O)(O)C1(O)O
InChIInChI=1S/C4H6O6/c5-2-1-10-4(8,9)3(2,6)7/h1,5-9H
InChIKeyISSCNQGDFLAVCE-UHFFFAOYSA-N
MW150.09 g/mol
LogP-2.26
Rot. Bonds

About furan-2,2,3,3,4-pentol

furan-2,2,3,3,4-pentol (PubChem CID 139758413) has the molecular formula C4H6O6 and a molecular weight of 150.09 g/mol. Its IUPAC name is furan-2,2,3,3,4-pentol.

Molecular Properties

Compound Namefuran-2,2,3,3,4-pentol
PubChem CID139758413
Molecular FormulaC4H6O6
Molecular Weight150.09 g/mol
Exact Mass150.02
IUPAC Namefuran-2,2,3,3,4-pentol
SMILESOC1=COC(O)(O)C1(O)O
InChIInChI=1S/C4H6O6/c5-2-1-10-4(8,9)3(2,6)7/h1,5-9H
InChIKeyISSCNQGDFLAVCE-UHFFFAOYSA-N
XLogP-2.26
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 5-2.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-2,2,3,3,4-pentol?
The IUPAC name of furan-2,2,3,3,4-pentol (CID 139758413) is furan-2,2,3,3,4-pentol.
What is the SMILES notation for furan-2,2,3,3,4-pentol?
The canonical SMILES for furan-2,2,3,3,4-pentol is OC1=COC(O)(O)C1(O)O.
What is the InChIKey of furan-2,2,3,3,4-pentol?
The InChIKey is ISSCNQGDFLAVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6/c5-2-1-10-4(8,9)3(2,6)7/h1,5-9H.
What are the key properties of furan-2,2,3,3,4-pentol?
furan-2,2,3,3,4-pentol has a molecular weight of 150.09 g/mol, XLogP of -2.26, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,2,3,3,4-pentol is sourced from PubChem (CID 139758413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).