azanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate

C28H55Cl4N7O14Pt2 — CID 161455340

IUPACazanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate
SMILESCC(C)COC(=O)OC(=O)CCCCCN1C(=O)CCC1=O.CCNC(=O)O.Cl[Pt+2]Cl.Cl[Pt+2]Cl.O.O.O=C(O)CCCCCN1C(=O)C=CC1=O.[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/C15H23NO6.C10H13NO4.C3H7NO2.4ClH.4H2N.2H2O.2Pt/c1-11(2)10-21-15(20)22-14(19)6-4-3-5-9-16-12(17)7-8-13(16)18;12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;1-2-4-3(5)6;;;;;;;;;;;;/h11H,3-10H2,1-2H3;5-6H,1-4,7H2,(H,14,15);4H,2H2,1H3,(H,5,6);4*1H;6*1H2;;/q;;;;;;;4*-1;;;2*+4/p-4
InChIKeyRALPYDKVHXZGJV-UHFFFAOYSA-J
MW1245.75 g/mol
LogP6.83
Rot. Bonds15

About azanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate

azanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate (PubChem CID 161455340) has the molecular formula C28H55Cl4N7O14Pt2 and a molecular weight of 1245.75 g/mol. Its IUPAC name is azanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate.

Molecular Properties

Compound Nameazanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate
PubChem CID161455340
Molecular FormulaC28H55Cl4N7O14Pt2
Molecular Weight1245.75 g/mol
Exact Mass1243.19
IUPAC Nameazanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate
SMILESCC(C)COC(=O)OC(=O)CCCCCN1C(=O)CCC1=O.CCNC(=O)O.Cl[Pt+2]Cl.Cl[Pt+2]Cl.O.O.O=C(O)CCCCCN1C(=O)C=CC1=O.[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/C15H23NO6.C10H13NO4.C3H7NO2.4ClH.4H2N.2H2O.2Pt/c1-11(2)10-21-15(20)22-14(19)6-4-3-5-9-16-12(17)7-8-13(16)18;12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;1-2-4-3(5)6;;;;;;;;;;;;/h11H,3-10H2,1-2H3;5-6H,1-4,7H2,(H,14,15);4H,2H2,1H3,(H,5,6);4*1H;6*1H2;;/q;;;;;;;4*-1;;;2*+4/p-4
InChIKeyRALPYDKVHXZGJV-UHFFFAOYSA-J
XLogP6.83
TPSA410.99 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001245.75
LogP ≤ 56.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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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
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
bis(2-methylpropoxycarbonyl) hexanedioate
CID 87754292
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
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
undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
CID 56837638
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione
CID 155715117
6-aminohexanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)hexanoic acid;furan-2,5-dione;1-hydroxypyrrolidine-2,5-dione
CID 165073519
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729
azanide;carbonic acid;dichloroplatinum(2+);4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-oxobutanoic acid
CID 153280176
4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084354

Frequently Asked Questions

What is the IUPAC name of azanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate?
The IUPAC name of 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) is azanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate.
What is the SMILES notation for azanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate?
The canonical SMILES for azanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate is CC(C)COC(=O)OC(=O)CCCCCN1C(=O)CCC1=O.CCNC(=O)O.Cl[Pt+2]Cl.Cl[Pt+2]Cl.O.O.O=C(O)CCCCCN1C(=O)C=CC1=O.[NH2-].[NH2-].[NH2-].[NH2-].
What is the InChIKey of azanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate?
The InChIKey is RALPYDKVHXZGJV-UHFFFAOYSA-J. The full InChI is InChI=1S/C15H23NO6.C10H13NO4.C3H7NO2.4ClH.4H2N.2H2O.2Pt/c1-11(2)10-21-15(20)22-14(19)6-4-3-5-9-16-12(17)7-8-13(16)18;12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;1-2-4-3(5)6;;;;;;;;;;;;/h11H,3-10H2,1-2H3;5-6H,1-4,7H2,(H,14,15);4H,2H2,1H3,(H,5,6);4*1H;6*1H2;;/q;;;;;;;4*-1;;;2*+4/p-4.
What are the key properties of azanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate?
azanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate has a molecular weight of 1245.75 g/mol, XLogP of 6.83, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;bis(dichloroplatinum(2+));6-(2,5-dioxopyrrol-1-yl)hexanoic acid;ethylcarbamic acid;2-methylpropoxycarbonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate;dihydrate is sourced from PubChem (CID 161455340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).