(2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

C6H8O6 — CID 6971257

IUPAC(2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESO=C1O[C@@H]2[C@@H](O)[C@H](O)O[C@@H]2[C@@H]1O
InChIInChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2+,3-,4-,5-/m1/s1
InChIKeyOGLCQHRZUSEXNB-APMUVNQYSA-N
MW176.12 g/mol
LogP-2.65
Rot. Bonds

About (2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

(2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (PubChem CID 6971257) has the molecular formula C6H8O6 and a molecular weight of 176.12 g/mol. Its IUPAC name is (2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name(2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
PubChem CID6971257
Molecular FormulaC6H8O6
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Name(2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESO=C1O[C@@H]2[C@@H](O)[C@H](O)O[C@@H]2[C@@H]1O
InChIInChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2+,3-,4-,5-/m1/s1
InChIKeyOGLCQHRZUSEXNB-APMUVNQYSA-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

Analyze (2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one with MolForge

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Launch Full Analysis

Related Compounds

Pectin
CID 441476
D-Glucuronic Acid
CID 94715
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
L-Gulonic acid, gamma-lactone
CID 439373
D-glucaro-1,4-lactone
CID 122306
D-Galacturonic Acid
CID 439215
beta-D-glucopyranuronic acid
CID 441478
alpha-D-GALACTURONIC ACID
CID 445929
L-galactono-1,4-lactone
CID 6857365
alpha-D-Glucuronic acid
CID 444791
GlyTouCan:G63727IH
CID 1149778

Frequently Asked Questions

What is the IUPAC name of (2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The IUPAC name of (2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (CID 6971257) is (2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.
What is the SMILES notation for (2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for (2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is O=C1O[C@@H]2[C@@H](O)[C@H](O)O[C@@H]2[C@@H]1O.
What is the InChIKey of (2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The InChIKey is OGLCQHRZUSEXNB-APMUVNQYSA-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/t1-,2+,3-,4-,5-/m1/s1.
What are the key properties of (2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
(2R,3R,3aR,6S,6aR)-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 (2R,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is sourced from PubChem (CID 6971257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).