2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one

C6H8O6 — CID 130374868

IUPAC2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one
SMILESO=C1OC(O)C2OC(O)C(O)C12
InChIInChI=1S/C6H8O6/c7-2-1-3(11-5(2)9)6(10)12-4(1)8/h1-3,5-7,9-10H
InChIKeyMRZUGOCXHHXIDQ-UHFFFAOYSA-N
MW176.12 g/mol
LogP-2.44
Rot. Bonds

About 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one

2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one (PubChem CID 130374868) has the molecular formula C6H8O6 and a molecular weight of 176.12 g/mol. Its IUPAC name is 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one.

Molecular Properties

Compound Name2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one
PubChem CID130374868
Molecular FormulaC6H8O6
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Name2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one
SMILESO=C1OC(O)C2OC(O)C(O)C12
InChIInChI=1S/C6H8O6/c7-2-1-3(11-5(2)9)6(10)12-4(1)8/h1-3,5-7,9-10H
InChIKeyMRZUGOCXHHXIDQ-UHFFFAOYSA-N
XLogP-2.44
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 5-2.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,6S,6aS)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 71317103
(2S,3R,3aS,6aS)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 123134521
(1S,7S,10R,11R)-6,9,10,11-tetrahydroxy-2,8-dioxabicyclo[5.3.1]undecane-3,5-dione
CID 67738360
(5S)-3,4,5,6-tetrahydroxyoxan-2-one
CID 135075644
(3S,4S,5R,6R)-3,4,5,6,7-pentahydroxyoxepan-2-one
CID 175693945
(1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one
CID 11788970
5-hydroxy-4-oxatetracyclo[5.4.2.02,6.08,11]trideca-9,12-dien-3-one
CID 174254663
(3aR,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 102136876
(3aS,6R,6aR)-6-hydroxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one
CID 171395325
18-hydroxy-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-16-one
CID 12794146
5-hydroxy-4-oxatricyclo[5.2.2.02,6]undec-8-en-3-one
CID 130122909
(3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol
CID 140835106

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one?
The IUPAC name of 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one (CID 130374868) is 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one.
What is the SMILES notation for 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one?
The canonical SMILES for 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one is O=C1OC(O)C2OC(O)C(O)C12.
What is the InChIKey of 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one?
The InChIKey is MRZUGOCXHHXIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O6/c7-2-1-3(11-5(2)9)6(10)12-4(1)8/h1-3,5-7,9-10H.
What are the key properties of 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one?
2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one has a molecular weight of 176.12 g/mol, XLogP of -2.44, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one is sourced from PubChem (CID 130374868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).