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

C8H12AcO4 — CID 59944003

IUPACactinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESCC[C@H]1OC(O)C2OC(=O)C[C@@H]21.[Ac]
InChIInChI=1S/C8H12O4.Ac/c1-2-5-4-3-6(9)12-7(4)8(10)11-5;/h4-5,7-8,10H,2-3H2,1H3;/t4-,5-,7?,8?;/m1./s1
InChIKeyVRRKRLARPGVLMW-RBNKYWBOSA-N
MW399.18 g/mol
LogP0.05
Rot. Bonds1

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

actinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (PubChem CID 59944003) has the molecular formula C8H12AcO4 and a molecular weight of 399.18 g/mol. Its IUPAC name is actinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.

Molecular Properties

Compound Nameactinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
PubChem CID59944003
Molecular FormulaC8H12AcO4
Molecular Weight399.18 g/mol
Exact Mass399.10
IUPAC Nameactinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESCC[C@H]1OC(O)C2OC(=O)C[C@@H]21.[Ac]
InChIInChI=1S/C8H12O4.Ac/c1-2-5-4-3-6(9)12-7(4)8(10)11-5;/h4-5,7-8,10H,2-3H2,1H3;/t4-,5-,7?,8?;/m1./s1
InChIKeyVRRKRLARPGVLMW-RBNKYWBOSA-N
XLogP0.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.18
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze actinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of actinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The IUPAC name of actinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (CID 59944003) is actinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.
What is the SMILES notation for actinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The canonical SMILES for actinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is CC[C@H]1OC(O)C2OC(=O)C[C@@H]21.[Ac].
What is the InChIKey of actinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The InChIKey is VRRKRLARPGVLMW-RBNKYWBOSA-N. The full InChI is InChI=1S/C8H12O4.Ac/c1-2-5-4-3-6(9)12-7(4)8(10)11-5;/h4-5,7-8,10H,2-3H2,1H3;/t4-,5-,7?,8?;/m1./s1.
What are the key properties of actinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
actinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one has a molecular weight of 399.18 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is sourced from PubChem (CID 59944003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).