(3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one

C6H8O3 — CID 58474982

IUPAC(3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one
SMILES[2H]C1([2H])O[C@@H]2OCC(=O)[C@@H]2C1([2H])[2H]
InChIInChI=1S/C6H8O3/c7-5-3-9-6-4(5)1-2-8-6/h4,6H,1-3H2/t4-,6+/m0/s1/i1D2,2D2
InChIKeyZAOPDCXUXVLHMW-DPLZEPFGSA-N
MW132.15 g/mol
LogP-0.05
Rot. Bonds

About (3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one

(3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one (PubChem CID 58474982) has the molecular formula C6H8O3 and a molecular weight of 132.15 g/mol. Its IUPAC name is (3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one.

Molecular Properties

Compound Name(3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one
PubChem CID58474982
Molecular FormulaC6H8O3
Molecular Weight132.15 g/mol
Exact Mass132.07
IUPAC Name(3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one
SMILES[2H]C1([2H])O[C@@H]2OCC(=O)[C@@H]2C1([2H])[2H]
InChIInChI=1S/C6H8O3/c7-5-3-9-6-4(5)1-2-8-6/h4,6H,1-3H2/t4-,6+/m0/s1/i1D2,2D2
InChIKeyZAOPDCXUXVLHMW-DPLZEPFGSA-N
XLogP-0.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one with MolForge

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Related Compounds

(3aR,6aR)-tetrahydrofuro[2,3-b]furan-3(2H)-one
CID 10678248
tetrahydrofuro[2,3-b]furan-3(2H)-one
CID 10351714
(3aR,6aS)-hexahydrofuro[2,3-b]furan-3-on
CID 20767149
(3aS,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one
CID 20816431
Rel-(3aS,6aS)-tetrahydrofuro[2,3-b]furan-3(2H)-one
CID 29945358
(3aR,6aR)-4,4,5,5,6a-pentadeuterio-3aH-furo[2,3-b]furan-3-one
CID 59608543
(3aR,6aR)-2,2,4,4,5,5-hexadeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one
CID 59608555
(3aR,6aR)-2,2,3a,4,4,5,5,6a-octadeuteriofuro[2,3-b]furan-3-one
CID 59608597
(6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one
CID 67170768
(6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one
CID 68216899
(3aR,6aR)-5,6a-dideuterio-3,3a-dihydro-2H-furo[2,3-b]furan-4-one
CID 87221149
(3aR,6aR)-3a,5,5,6a-tetradeuterio-2,3-dihydrofuro[2,3-b]furan-4-one
CID 87221150

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one?
The IUPAC name of (3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one (CID 58474982) is (3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one.
What is the SMILES notation for (3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one?
The canonical SMILES for (3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one is [2H]C1([2H])O[C@@H]2OCC(=O)[C@@H]2C1([2H])[2H].
What is the InChIKey of (3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one?
The InChIKey is ZAOPDCXUXVLHMW-DPLZEPFGSA-N. The full InChI is InChI=1S/C6H8O3/c7-5-3-9-6-4(5)1-2-8-6/h4,6H,1-3H2/t4-,6+/m0/s1/i1D2,2D2.
What are the key properties of (3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one?
(3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one has a molecular weight of 132.15 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-4,4,5,5-tetradeuterio-3a,6a-dihydrofuro[2,3-b]furan-3-one is sourced from PubChem (CID 58474982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).