2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

C6H8O6 — CID 3483

IUPAC2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESO=C1OC2C(O)C(O)OC2C1O
InChIInChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H
InChIKeyOGLCQHRZUSEXNB-UHFFFAOYSA-N
MW176.12 g/mol
LogP-2.65
Rot. Bonds

About 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (PubChem CID 3483) 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[3,2-b]furan-5-one.

Molecular Properties

Compound Name2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
PubChem CID3483
Molecular FormulaC6H8O6
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Name2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESO=C1OC2C(O)C(O)OC2C1O
InChIInChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H
InChIKeyOGLCQHRZUSEXNB-UHFFFAOYSA-N
XLogP-2.65
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 ≤ 5-2.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Pectin
CID 441476
D-Glucuronic Acid
CID 94715
L-Gulonic acid, gamma-lactone
CID 439373
D-glucaro-1,4-lactone
CID 122306
D-Galactono-1,4-Lactone
CID 97165
(2R,3R,3aR,6R,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 2724333
D-Galacturonic Acid
CID 439215
beta-D-glucopyranuronic acid
CID 441478
alpha-D-GALACTURONIC ACID
CID 445929
L-galactono-1,4-lactone
CID 6857365
5-(1,2-Dihydroxy-ethyl)-3,4-dihydroxy-dihydro-furan-2-one
CID 608
alpha-D-Glucuronic acid
CID 444791

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The IUPAC name of 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (CID 3483) is 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.
What is the SMILES notation for 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is O=C1OC2C(O)C(O)OC2C1O.
What is the InChIKey of 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The InChIKey is OGLCQHRZUSEXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H.
What are the key properties of 2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one has a molecular weight of 176.12 g/mol, XLogP of -2.65, 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[3,2-b]furan-5-one is sourced from PubChem (CID 3483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).