(3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione

C10H12O6 — CID 11622716

IUPAC(3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione
SMILESO=C1C[C@@]2(CO1)CO[C@@]1(CO)CC(=O)O[C@@H]21
InChIInChI=1S/C10H12O6/c11-3-10-2-7(13)16-8(10)9(5-15-10)1-6(12)14-4-9/h8,11H,1-5H2/t8-,9+,10+/m0/s1
InChIKeyTVSNWZPMYISSOD-IVZWLZJFSA-N
MW228.20 g/mol
LogP-1.00
Rot. Bonds1

About (3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione

(3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione (PubChem CID 11622716) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is (3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione.

Molecular Properties

Compound Name(3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione
PubChem CID11622716
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name(3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione
SMILESO=C1C[C@@]2(CO1)CO[C@@]1(CO)CC(=O)O[C@@H]21
InChIInChI=1S/C10H12O6/c11-3-10-2-7(13)16-8(10)9(5-15-10)1-6(12)14-4-9/h8,11H,1-5H2/t8-,9+,10+/m0/s1
InChIKeyTVSNWZPMYISSOD-IVZWLZJFSA-N
XLogP-1.00
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione?
The IUPAC name of (3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione (CID 11622716) is (3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione.
What is the SMILES notation for (3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione?
The canonical SMILES for (3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione is O=C1C[C@@]2(CO1)CO[C@@]1(CO)CC(=O)O[C@@H]21.
What is the InChIKey of (3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione?
The InChIKey is TVSNWZPMYISSOD-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H12O6/c11-3-10-2-7(13)16-8(10)9(5-15-10)1-6(12)14-4-9/h8,11H,1-5H2/t8-,9+,10+/m0/s1.
What are the key properties of (3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione?
(3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione has a molecular weight of 228.20 g/mol, XLogP of -1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aR)-6a-(hydroxymethyl)spiro[3a,6-dihydro-2H-furo[3,2-b]furan-3,4'-oxolane]-2',5-dione is sourced from PubChem (CID 11622716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).