acetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+))

C129H204Cl2N14O58Pt6 — CID 159122447

IUPACacetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+))
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CCNC(O)O.COCC(=O)O.COCC(=O)O.Cl[Pt+2]Cl.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)CCCCCCN1C(=O)C=CC1=O.O=C(O)CCCCCCN1C(=O)C=CC1=O.O=C(O)CCCCCN1C(=O)C=CC1=O.O=C(O)CCCCCN1C(=O)C=CC1=O.O=C(O)CCCCCN1C(=O)C=CC1=O.O=C(O)NCCCCCN1C(=O)C=CC1=O.[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C11H15NO4.C10H14N2O4.3C10H13NO4.6C7H13N.C3H9NO2.2C3H6O3.5C2H2O4.3C2H4O2.2ClH.6Pt/c2*13-9-6-7-10(14)12(9)8-4-2-1-3-5-11(15)16;13-8-4-5-9(14)12(8)7-3-1-2-6-11-10(15)16;3*12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;6*1-6-4-2-3-5-7(6)8;1-2-4-3(5)6;2*1-6-2-3(4)5;5*3-1(4)2(5)6;3*1-2(3)4;;;;;;;;/h2*6-7H,1-5,8H2,(H,15,16);4-5,11H,1-3,6-7H2,(H,15,16);3*5-6H,1-4,7H2,(H,14,15);6*6-8H,1-5H2;3-6H,2H2,1H3;2*2H2,1H3,(H,4,5);5*(H,3,4)(H,5,6);3*1H3,(H,3,4);2*1H;;;;;;/q;;;;;;6*-2;;;;;;;;;;;;;;5*+2;+4/p-2/t;;;;;;6*6-,7-;;;;;;;;;;;;;;;;;;;/m......111111.................../s1
InChIKeyHLYYTSGXFQWWGD-YZINFLHUSA-L
MW4120.46 g/mol
LogP14.21
Rot. Bonds44

About acetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+))

acetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+)) (PubChem CID 159122447) has the molecular formula C129H204Cl2N14O58Pt6 and a molecular weight of 4120.46 g/mol. Its IUPAC name is acetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+)).

Molecular Properties

Compound Nameacetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+))
PubChem CID159122447
Molecular FormulaC129H204Cl2N14O58Pt6
Molecular Weight4120.46 g/mol
Exact Mass4117.07
IUPAC Nameacetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+))
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CCNC(O)O.COCC(=O)O.COCC(=O)O.Cl[Pt+2]Cl.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)CCCCCCN1C(=O)C=CC1=O.O=C(O)CCCCCCN1C(=O)C=CC1=O.O=C(O)CCCCCN1C(=O)C=CC1=O.O=C(O)CCCCCN1C(=O)C=CC1=O.O=C(O)CCCCCN1C(=O)C=CC1=O.O=C(O)NCCCCCN1C(=O)C=CC1=O.[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C11H15NO4.C10H14N2O4.3C10H13NO4.6C7H13N.C3H9NO2.2C3H6O3.5C2H2O4.3C2H4O2.2ClH.6Pt/c2*13-9-6-7-10(14)12(9)8-4-2-1-3-5-11(15)16;13-8-4-5-9(14)12(8)7-3-1-2-6-11-10(15)16;3*12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;6*1-6-4-2-3-5-7(6)8;1-2-4-3(5)6;2*1-6-2-3(4)5;5*3-1(4)2(5)6;3*1-2(3)4;;;;;;;;/h2*6-7H,1-5,8H2,(H,15,16);4-5,11H,1-3,6-7H2,(H,15,16);3*5-6H,1-4,7H2,(H,14,15);6*6-8H,1-5H2;3-6H,2H2,1H3;2*2H2,1H3,(H,4,5);5*(H,3,4)(H,5,6);3*1H3,(H,3,4);2*1H;;;;;;/q;;;;;;6*-2;;;;;;;;;;;;;;5*+2;+4/p-2/t;;;;;;6*6-,7-;;;;;;;;;;;;;;;;;;;/m......111111.................../s1
InChIKeyHLYYTSGXFQWWGD-YZINFLHUSA-L
XLogP14.21
TPSA1233.36 Ų
H-Bond Donors25
H-Bond Acceptors38
Rotatable Bonds44
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004120.46
LogP ≤ 514.21
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze acetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+)) with MolForge

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Related Compounds

bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate
CID 158809654
6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid
CID 90457556
azanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate
CID 161455340
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethylcarbamic acid
CID 121412813
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione
CID 155715117
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962
azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane)
CID 158980043
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butanoic acid
CID 146519750

Frequently Asked Questions

What is the IUPAC name of acetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+))?
The IUPAC name of acetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+)) (CID 159122447) is acetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+)).
What is the SMILES notation for acetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+))?
The canonical SMILES for acetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+)) is CC(=O)O.CC(=O)O.CC(=O)O.CCNC(O)O.COCC(=O)O.COCC(=O)O.Cl[Pt+2]Cl.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)CCCCCCN1C(=O)C=CC1=O.O=C(O)CCCCCCN1C(=O)C=CC1=O.O=C(O)CCCCCN1C(=O)C=CC1=O.O=C(O)CCCCCN1C(=O)C=CC1=O.O=C(O)CCCCCN1C(=O)C=CC1=O.O=C(O)NCCCCCN1C(=O)C=CC1=O.[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of acetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+))?
The InChIKey is HLYYTSGXFQWWGD-YZINFLHUSA-L. The full InChI is InChI=1S/2C11H15NO4.C10H14N2O4.3C10H13NO4.6C7H13N.C3H9NO2.2C3H6O3.5C2H2O4.3C2H4O2.2ClH.6Pt/c2*13-9-6-7-10(14)12(9)8-4-2-1-3-5-11(15)16;13-8-4-5-9(14)12(8)7-3-1-2-6-11-10(15)16;3*12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;6*1-6-4-2-3-5-7(6)8;1-2-4-3(5)6;2*1-6-2-3(4)5;5*3-1(4)2(5)6;3*1-2(3)4;;;;;;;;/h2*6-7H,1-5,8H2,(H,15,16);4-5,11H,1-3,6-7H2,(H,15,16);3*5-6H,1-4,7H2,(H,14,15);6*6-8H,1-5H2;3-6H,2H2,1H3;2*2H2,1H3,(H,4,5);5*(H,3,4)(H,5,6);3*1H3,(H,3,4);2*1H;;;;;;/q;;;;;;6*-2;;;;;;;;;;;;;;5*+2;+4/p-2/t;;;;;;6*6-,7-;;;;;;;;;;;;;;;;;;;/m......111111.................../s1.
What are the key properties of acetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+))?
acetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+)) has a molecular weight of 4120.46 g/mol, XLogP of 14.21, 44 rotatable bonds, 25 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;dichloroplatinum(2+);bis(7-(2,5-dioxopyrrol-1-yl)heptanoic acid);tris(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);5-(2,5-dioxopyrrol-1-yl)pentylcarbamic acid;ethylaminomethanediol;hexakis([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(2-methoxyacetic acid);oxalic acid;pentakis(platinum(2+)) is sourced from PubChem (CID 159122447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).