(3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C7H10O4 — CID 130757545

IUPAC(3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1C[C@@H]2C[C@@H](O)[C@H](O)[C@@H]2O1
InChIInChI=1S/C7H10O4/c8-4-1-3-2-5(9)11-7(3)6(4)10/h3-4,6-8,10H,1-2H2/t3-,4+,6-,7+/m0/s1
InChIKeyDGGGPQCJIGRSCH-VYFZPWGTSA-N
MW158.15 g/mol
LogP-0.96
Rot. Bonds

About (3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 130757545) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID130757545
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1C[C@@H]2C[C@@H](O)[C@H](O)[C@@H]2O1
InChIInChI=1S/C7H10O4/c8-4-1-3-2-5(9)11-7(3)6(4)10/h3-4,6-8,10H,1-2H2/t3-,4+,6-,7+/m0/s1
InChIKeyDGGGPQCJIGRSCH-VYFZPWGTSA-N
XLogP-0.96
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 130757545) is (3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is O=C1C[C@@H]2C[C@@H](O)[C@H](O)[C@@H]2O1.
What is the InChIKey of (3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is DGGGPQCJIGRSCH-VYFZPWGTSA-N. The full InChI is InChI=1S/C7H10O4/c8-4-1-3-2-5(9)11-7(3)6(4)10/h3-4,6-8,10H,1-2H2/t3-,4+,6-,7+/m0/s1.
What are the key properties of (3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 158.15 g/mol, XLogP of -0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 130757545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).