actinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide

C8H16AcNO3- — CID 59087028

IUPACactinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide
SMILESCC1OC(CO)C(O)C(C)C1[NH-].[Ac]
InChIInChI=1S/C8H16NO3.Ac/c1-4-7(9)5(2)12-6(3-10)8(4)11;/h4-11H,3H2,1-2H3;/q-1;
InChIKeyRUEILLSIKLMURZ-UHFFFAOYSA-N
MW401.22 g/mol
LogP0.18
Rot. Bonds1

About actinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide

actinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide (PubChem CID 59087028) has the molecular formula C8H16AcNO3- and a molecular weight of 401.22 g/mol. Its IUPAC name is actinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide.

Molecular Properties

Compound Nameactinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide
PubChem CID59087028
Molecular FormulaC8H16AcNO3-
Molecular Weight401.22 g/mol
Exact Mass401.14
IUPAC Nameactinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide
SMILESCC1OC(CO)C(O)C(C)C1[NH-].[Ac]
InChIInChI=1S/C8H16NO3.Ac/c1-4-7(9)5(2)12-6(3-10)8(4)11;/h4-11H,3H2,1-2H3;/q-1;
InChIKeyRUEILLSIKLMURZ-UHFFFAOYSA-N
XLogP0.18
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of actinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide?
The IUPAC name of actinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide (CID 59087028) is actinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide.
What is the SMILES notation for actinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide?
The canonical SMILES for actinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide is CC1OC(CO)C(O)C(C)C1[NH-].[Ac].
What is the InChIKey of actinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide?
The InChIKey is RUEILLSIKLMURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO3.Ac/c1-4-7(9)5(2)12-6(3-10)8(4)11;/h4-11H,3H2,1-2H3;/q-1;.
What are the key properties of actinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide?
actinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide has a molecular weight of 401.22 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[5-hydroxy-6-(hydroxymethyl)-2,4-dimethyloxan-3-yl]azanide is sourced from PubChem (CID 59087028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).