(3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one

C6H8O4 — CID 58492185

IUPAC(3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESO=C1C[C@@H]2[C@H](O)OC[C@@H]2O1
InChIInChI=1S/C6H8O4/c7-5-1-3-4(10-5)2-9-6(3)8/h3-4,6,8H,1-2H2/t3-,4-,6+/m0/s1
InChIKeyDVJLYOKWESBYRD-RVJQKOHUSA-N
MW144.13 g/mol
LogP-0.73
Rot. Bonds

About (3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one

(3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (PubChem CID 58492185) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.

Molecular Properties

Compound Name(3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
PubChem CID58492185
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESO=C1C[C@@H]2[C@H](O)OC[C@@H]2O1
InChIInChI=1S/C6H8O4/c7-5-1-3-4(10-5)2-9-6(3)8/h3-4,6,8H,1-2H2/t3-,4-,6+/m0/s1
InChIKeyDVJLYOKWESBYRD-RVJQKOHUSA-N
XLogP-0.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The IUPAC name of (3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (CID 58492185) is (3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.
What is the SMILES notation for (3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The canonical SMILES for (3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is O=C1C[C@@H]2[C@H](O)OC[C@@H]2O1.
What is the InChIKey of (3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The InChIKey is DVJLYOKWESBYRD-RVJQKOHUSA-N. The full InChI is InChI=1S/C6H8O4/c7-5-1-3-4(10-5)2-9-6(3)8/h3-4,6,8H,1-2H2/t3-,4-,6+/m0/s1.
What are the key properties of (3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
(3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one has a molecular weight of 144.13 g/mol, XLogP of -0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6aR)-4-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is sourced from PubChem (CID 58492185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).