actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide

C14H27AcN2O6- — CID 59894670

About actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide

actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide (PubChem CID 59894670) has the molecular formula C14H27AcN2O6- and a molecular weight of 546.38 g/mol. Its IUPAC name is actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide.

Molecular Properties

• Compound Name: actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide
• PubChem CID: 59894670
• Molecular Formula: C14H27AcN2O6-
• Molecular Weight: 546.38 g/mol
• Exact Mass: 546.22
• IUPAC Name: actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide
• SMILES: CCCCC(=O)NCCCO[C@@H]1OC(CO)[C@H](O)C(O)C1[NH-].[Ac]
• InChI: InChI=1S/C14H27N2O6.Ac/c1-2-3-5-10(18)16-6-4-7-21-14-11(15)13(20)12(19)9(8-17)22-14;/h9,11-15,17,19-20H,2-8H2,1H3,(H,16,18);/q-1;/t9?,11?,12-,13?,14+;/m0./s1
• InChIKey: VZXWJNHHZOVEIG-SATBPWBASA-N
• XLogP: -0.44
• TPSA: 132.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.38
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide?

The IUPAC name of actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide (CID 59894670) is actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide.

What is the SMILES notation for actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide?

The canonical SMILES for actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide is CCCCC(=O)NCCCO[C@@H]1OC(CO)[C@H](O)C(O)C1[NH-].[Ac].

What is the InChIKey of actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide?

The InChIKey is VZXWJNHHZOVEIG-SATBPWBASA-N. The full InChI is InChI=1S/C14H27N2O6.Ac/c1-2-3-5-10(18)16-6-4-7-21-14-11(15)13(20)12(19)9(8-17)22-14;/h9,11-15,17,19-20H,2-8H2,1H3,(H,16,18);/q-1;/t9?,11?,12-,13?,14+;/m0./s1.

What are the key properties of actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide?

actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide has a molecular weight of 546.38 g/mol, XLogP of -0.44, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide is sourced from PubChem (CID 59894670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).