actinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide

C8H15AcNO3 — CID 59909586

IUPACactinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide
SMILESCNC(=O)[C@H]1OC(O)[C@H](C)[C@@H]1C.[Ac]
InChIInChI=1S/C8H15NO3.Ac/c1-4-5(2)8(11)12-6(4)7(10)9-3;/h4-6,8,11H,1-3H3,(H,9,10);/t4-,5+,6-,8?;/m0./s1
InChIKeyVRADVOIFEKEJKM-RUHJVITESA-N
MW400.21 g/mol
LogP-0.28
Rot. Bonds1

About actinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide

actinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide (PubChem CID 59909586) has the molecular formula C8H15AcNO3 and a molecular weight of 400.21 g/mol. Its IUPAC name is actinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide.

Molecular Properties

Compound Nameactinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide
PubChem CID59909586
Molecular FormulaC8H15AcNO3
Molecular Weight400.21 g/mol
Exact Mass400.13
IUPAC Nameactinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide
SMILESCNC(=O)[C@H]1OC(O)[C@H](C)[C@@H]1C.[Ac]
InChIInChI=1S/C8H15NO3.Ac/c1-4-5(2)8(11)12-6(4)7(10)9-3;/h4-6,8,11H,1-3H3,(H,9,10);/t4-,5+,6-,8?;/m0./s1
InChIKeyVRADVOIFEKEJKM-RUHJVITESA-N
XLogP-0.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of actinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide?
The IUPAC name of actinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide (CID 59909586) is actinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide.
What is the SMILES notation for actinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide?
The canonical SMILES for actinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide is CNC(=O)[C@H]1OC(O)[C@H](C)[C@@H]1C.[Ac].
What is the InChIKey of actinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide?
The InChIKey is VRADVOIFEKEJKM-RUHJVITESA-N. The full InChI is InChI=1S/C8H15NO3.Ac/c1-4-5(2)8(11)12-6(4)7(10)9-3;/h4-6,8,11H,1-3H3,(H,9,10);/t4-,5+,6-,8?;/m0./s1.
What are the key properties of actinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide?
actinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide has a molecular weight of 400.21 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide is sourced from PubChem (CID 59909586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).