3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol

C6H10O6 — CID 90963041

IUPAC3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol
SMILESOC1(O)COC2(O)OCCC12O
InChIInChI=1S/C6H10O6/c7-4-1-2-11-6(4,10)12-3-5(4,8)9/h7-10H,1-3H2
InChIKeyAEVTUGQXEVONOX-UHFFFAOYSA-N
MW178.14 g/mol
LogP-2.51
Rot. Bonds

About 3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol

3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol (PubChem CID 90963041) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is 3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol.

Molecular Properties

Compound Name3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol
PubChem CID90963041
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol
SMILESOC1(O)COC2(O)OCCC12O
InChIInChI=1S/C6H10O6/c7-4-1-2-11-6(4,10)12-3-5(4,8)9/h7-10H,1-3H2
InChIKeyAEVTUGQXEVONOX-UHFFFAOYSA-N
XLogP-2.51
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-2.51
H-Bond Donors ≤ 54
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 3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol?
The IUPAC name of 3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol (CID 90963041) is 3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol.
What is the SMILES notation for 3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol?
The canonical SMILES for 3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol is OC1(O)COC2(O)OCCC12O.
What is the InChIKey of 3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol?
The InChIKey is AEVTUGQXEVONOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6/c7-4-1-2-11-6(4,10)12-3-5(4,8)9/h7-10H,1-3H2.
What are the key properties of 3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol?
3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol has a molecular weight of 178.14 g/mol, XLogP of -2.51, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-furo[2,3-b]furan-3a,4,4,6a-tetrol is sourced from PubChem (CID 90963041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).