actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide

C65H111Ac12N10O23-3 — CID 18737920

About actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide

actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide (PubChem CID 18737920) has the molecular formula C65H111Ac12N10O23-3 and a molecular weight of 4124.65 g/mol. Its IUPAC name is actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide.

Molecular Properties

• Compound Name: actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide
• PubChem CID: 18737920
• Molecular Formula: C65H111Ac12N10O23-3
• Molecular Weight: 4124.65 g/mol
• Exact Mass: 4124.12
• IUPAC Name: actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide
• SMILES: CC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)C(N)Cc1ccc(OC(C)(C)C)cc1)C(=O)NCCCCCCOC1OC(CO)C(O)C(O)C1[NH-])C(=O)NCCCCCCOC1OC(CO)C(O)C(O)C1[NH-])C(=O)NCCCCCCOC1OC(CO)C(O)C(O)C1[NH-].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
• InChI: InChI=1S/C65H111N10O23.12Ac/c1-37(79)17-22-41(59(89)70-27-11-5-8-14-30-92-62-49(67)55(85)52(82)44(34-76)95-62)73-47(80)25-23-42(60(90)71-28-12-6-9-15-31-93-63-50(68)56(86)53(83)45(35-77)96-63)74-48(81)26-24-43(75-58(88)40(66)33-38-18-20-39(21-19-38)98-65(2,3)4)61(91)72-29-13-7-10-16-32-94-64-51(69)57(87)54(84)46(36-78)97-64;;;;;;;;;;;;/h18-21,40-46,49-57,62-64,67-69,76-78,82-87H,5-17,22-36,66H2,1-4H3,(H,70,89)(H,71,90)(H,72,91)(H,73,80)(H,74,81)(H,75,88);;;;;;;;;;;;/q-3
• InChIKey: DPSZFZANPZEBHT-UHFFFAOYSA-N
• XLogP: -1.22
• TPSA: 535.77 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 24
• Rotatable Bonds: 46
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4124.65
LogP ≤ 5	-1.22
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?

The IUPAC name of actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide (CID 18737920) is actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide.

What is the SMILES notation for actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?

The canonical SMILES for actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide is CC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)C(N)Cc1ccc(OC(C)(C)C)cc1)C(=O)NCCCCCCOC1OC(CO)C(O)C(O)C1[NH-])C(=O)NCCCCCCOC1OC(CO)C(O)C(O)C1[NH-])C(=O)NCCCCCCOC1OC(CO)C(O)C(O)C1[NH-].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].

What is the InChIKey of actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?

The InChIKey is DPSZFZANPZEBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H111N10O23.12Ac/c1-37(79)17-22-41(59(89)70-27-11-5-8-14-30-92-62-49(67)55(85)52(82)44(34-76)95-62)73-47(80)25-23-42(60(90)71-28-12-6-9-15-31-93-63-50(68)56(86)53(83)45(35-77)96-63)74-48(81)26-24-43(75-58(88)40(66)33-38-18-20-39(21-19-38)98-65(2,3)4)61(91)72-29-13-7-10-16-32-94-64-51(69)57(87)54(84)46(36-78)97-64;;;;;;;;;;;;/h18-21,40-46,49-57,62-64,67-69,76-78,82-87H,5-17,22-36,66H2,1-4H3,(H,70,89)(H,71,90)(H,72,91)(H,73,80)(H,74,81)(H,75,88);;;;;;;;;;;;/q-3;;;;;;;;;;;;.

What are the key properties of actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?

actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide has a molecular weight of 4124.65 g/mol, XLogP of -1.22, 46 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide is sourced from PubChem (CID 18737920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).