(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one

C12H18O8 — CID 66771978

IUPAC(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one
SMILESO=C1CO[C@H]2[C@H](O)CO[C@@H]12.O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O
InChIInChI=1S/C6H10O4.C6H8O4/c2*7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2;3,5-7H,1-2H2/t3-,4+,5-,6-;3-,5+,6+/m11/s1
InChIKeyAOAKVYQFBUOKAA-RPACJHKESA-N
MW290.27 g/mol
LogP-2.78
Rot. Bonds

About (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one

(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one (PubChem CID 66771978) has the molecular formula C12H18O8 and a molecular weight of 290.27 g/mol. Its IUPAC name is (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one.

Molecular Properties

Compound Name(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one
PubChem CID66771978
Molecular FormulaC12H18O8
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one
SMILESO=C1CO[C@H]2[C@H](O)CO[C@@H]12.O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O
InChIInChI=1S/C6H10O4.C6H8O4/c2*7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2;3,5-7H,1-2H2/t3-,4+,5-,6-;3-,5+,6+/m11/s1
InChIKeyAOAKVYQFBUOKAA-RPACJHKESA-N
XLogP-2.78
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-2.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one?
The IUPAC name of (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one (CID 66771978) is (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one.
What is the SMILES notation for (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one?
The canonical SMILES for (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one is O=C1CO[C@H]2[C@H](O)CO[C@@H]12.O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O.
What is the InChIKey of (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one?
The InChIKey is AOAKVYQFBUOKAA-RPACJHKESA-N. The full InChI is InChI=1S/C6H10O4.C6H8O4/c2*7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2;3,5-7H,1-2H2/t3-,4+,5-,6-;3-,5+,6+/m11/s1.
What are the key properties of (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one?
(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one has a molecular weight of 290.27 g/mol, XLogP of -2.78, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one is sourced from PubChem (CID 66771978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).