(1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one

C10H16O6 — CID 57189007

IUPAC(1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one
SMILESCO[C@@H]1OCOC(=O)C[C@H]2[C@H]1[C@@H](O)C[C@H]2O
InChIInChI=1S/C10H16O6/c1-14-10-9-5(6(11)3-7(9)12)2-8(13)15-4-16-10/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,9+,10-/m1/s1
InChIKeyHNHKPAULRPQXID-FOWOUKQUSA-N
MW232.23 g/mol
LogP-0.76
Rot. Bonds1

About (1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one

(1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one (PubChem CID 57189007) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is (1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one.

Molecular Properties

Compound Name(1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one
PubChem CID57189007
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name(1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one
SMILESCO[C@@H]1OCOC(=O)C[C@H]2[C@H]1[C@@H](O)C[C@H]2O
InChIInChI=1S/C10H16O6/c1-14-10-9-5(6(11)3-7(9)12)2-8(13)15-4-16-10/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,9+,10-/m1/s1
InChIKeyHNHKPAULRPQXID-FOWOUKQUSA-N
XLogP-0.76
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one?
The IUPAC name of (1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one (CID 57189007) is (1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one.
What is the SMILES notation for (1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one?
The canonical SMILES for (1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one is CO[C@@H]1OCOC(=O)C[C@H]2[C@H]1[C@@H](O)C[C@H]2O.
What is the InChIKey of (1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one?
The InChIKey is HNHKPAULRPQXID-FOWOUKQUSA-N. The full InChI is InChI=1S/C10H16O6/c1-14-10-9-5(6(11)3-7(9)12)2-8(13)15-4-16-10/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,9+,10-/m1/s1.
What are the key properties of (1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one?
(1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one has a molecular weight of 232.23 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one is sourced from PubChem (CID 57189007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).