actinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid

C63H122Ac10N4O16 — CID 59071653

IUPACactinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCCNC(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)NCC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C63H122N4O16.10Ac/c68-48-51(70)55(74)57(76)59(78)61(80)64-45-41-37-33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-35-39-43-53(72)66-47-50(63(82)83)67-54(73)44-40-36-32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34-38-42-46-65-62(81)60(79)58(77)56(75)52(71)49-69;;;;;;;;;;/h50-52,55-60,68-71,74-79H,1-49H2,(H,64,80)(H,65,81)(H,66,72)(H,67,73)(H,82,83);;;;;;;;;;/t50?,51-,52-,55+,56-,57-,58+,59+,60-;;;;;;;;;;/m1........../s1
InChIKeyKBHPFBRWHMSMFK-OHXJUUTOSA-N
MW3461.68 g/mol
LogP6.94
Rot. Bonds62

About actinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid

actinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid (PubChem CID 59071653) has the molecular formula C63H122Ac10N4O16 and a molecular weight of 3461.68 g/mol. Its IUPAC name is actinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid.

Molecular Properties

Compound Nameactinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid
PubChem CID59071653
Molecular FormulaC63H122Ac10N4O16
Molecular Weight3461.68 g/mol
Exact Mass3461.16
IUPAC Nameactinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCCNC(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)NCC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C63H122N4O16.10Ac/c68-48-51(70)55(74)57(76)59(78)61(80)64-45-41-37-33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-35-39-43-53(72)66-47-50(63(82)83)67-54(73)44-40-36-32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34-38-42-46-65-62(81)60(79)58(77)56(75)52(71)49-69;;;;;;;;;;/h50-52,55-60,68-71,74-79H,1-49H2,(H,64,80)(H,65,81)(H,66,72)(H,67,73)(H,82,83);;;;;;;;;;/t50?,51-,52-,55+,56-,57-,58+,59+,60-;;;;;;;;;;/m1........../s1
InChIKeyKBHPFBRWHMSMFK-OHXJUUTOSA-N
XLogP6.94
TPSA356.00 Ų
H-Bond Donors15
H-Bond Acceptors15
Rotatable Bonds62
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003461.68
LogP ≤ 56.94
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze actinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid with MolForge

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Related Compounds

(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxy-N-[3-[[(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]hexanamide
CID 14403953
N-[8-[4-(butylamino)butylamino]-7-[[4-(butylamino)butylamino]methyl]octyl]tridecanamide;12-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]-N-tridecyldodecanamide
CID 158471887
(2R,3S,4R,5R)-N-(5-aminopentyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 102510568
(2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide
CID 124819757
N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide
CID 57405062
N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide
CID 57405064
N-[8-[4-(3-aminopropylamino)butylamino]-7-[[4-(3-aminopropylamino)butylamino]methyl]octyl]-18-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]octadecanamide;methane
CID 160890981
(2S,4S,5R)-N-(4-aminobutyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 89146863
(2R,3R,4S,5R,6R)-N-[2-[[(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoyl]amino]ethyl]-2,3,4,5,6,7-hexahydroxyheptanamide
CID 102513201
N-(4-aminobutyl)-2,3,4,5,6,7,8-heptahydroxyoctanamide
CID 88861881
N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 101193409
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-oxo-5-(2,3,4,5,6-pentahydroxyhexylamino)pentanoic acid
CID 166731705

Frequently Asked Questions

What is the IUPAC name of actinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid?
The IUPAC name of actinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid (CID 59071653) is actinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid.
What is the SMILES notation for actinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid?
The canonical SMILES for actinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid is O=C(CCCCCCCCCCCCCCCCCCCCCCCNC(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)NCC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].
What is the InChIKey of actinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid?
The InChIKey is KBHPFBRWHMSMFK-OHXJUUTOSA-N. The full InChI is InChI=1S/C63H122N4O16.10Ac/c68-48-51(70)55(74)57(76)59(78)61(80)64-45-41-37-33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-35-39-43-53(72)66-47-50(63(82)83)67-54(73)44-40-36-32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34-38-42-46-65-62(81)60(79)58(77)56(75)52(71)49-69;;;;;;;;;;/h50-52,55-60,68-71,74-79H,1-49H2,(H,64,80)(H,65,81)(H,66,72)(H,67,73)(H,82,83);;;;;;;;;;/t50?,51-,52-,55+,56-,57-,58+,59+,60-;;;;;;;;;;/m1........../s1.
What are the key properties of actinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid?
actinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid has a molecular weight of 3461.68 g/mol, XLogP of 6.94, 62 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-[24-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]-3-[24-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]tetracosanoylamino]propanoic acid is sourced from PubChem (CID 59071653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).