butane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+)

C16H37N2O10PPt — CID 159326077

IUPACbutane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+)
SMILESCCCC.CCN(CC)C(C(=O)O)C(=O)O.O=[P+]([O-])OO.[CH2-]C(CO)C([NH-])CO.[H][H].[Pt+2]
InChIInChI=1S/C7H13NO4.C5H11NO2.C4H10.HO4P.Pt.H2/c1-3-8(4-2)5(6(9)10)7(11)12;1-4(2-7)5(6)3-8;1-3-4-2;1-4-5(2)3;;/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12);4-8H,1-3H2;3-4H2,1-2H3;1H;;1H/q;-2;;;+2;
InChIKeyLZZIEBQWOKGTBT-UHFFFAOYSA-N
MW643.53 g/mol
LogP1.25
Rot. Bonds10

About butane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+)

butane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+) (PubChem CID 159326077) has the molecular formula C16H37N2O10PPt and a molecular weight of 643.53 g/mol. Its IUPAC name is butane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+).

Molecular Properties

Compound Namebutane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+)
PubChem CID159326077
Molecular FormulaC16H37N2O10PPt
Molecular Weight643.53 g/mol
Exact Mass643.18
IUPAC Namebutane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+)
SMILESCCCC.CCN(CC)C(C(=O)O)C(=O)O.O=[P+]([O-])OO.[CH2-]C(CO)C([NH-])CO.[H][H].[Pt+2]
InChIInChI=1S/C7H13NO4.C5H11NO2.C4H10.HO4P.Pt.H2/c1-3-8(4-2)5(6(9)10)7(11)12;1-4(2-7)5(6)3-8;1-3-4-2;1-4-5(2)3;;/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12);4-8H,1-3H2;3-4H2,1-2H3;1H;;1H/q;-2;;;+2;
InChIKeyLZZIEBQWOKGTBT-UHFFFAOYSA-N
XLogP1.25
TPSA211.69 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.53
LogP ≤ 51.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azanide;2-[3-(dimethylamino)propyl]butanedioic acid;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+)
CID 160828936
ethanol;bis(hydroperoxy-oxido-oxophosphanium);2-hydroxyacetonitrile;methane;molecular hydrogen;hydrate
CID 159075627
methyl 3-(diethylamino)-4-hydroxybutanoate
CID 105443683
Anhydrous sodium dihydrogen phosphate, for HPLC
CID 155882682
CID 159938136
CID 159938136
(2S)-2-(diethylamino)propanoic acid
CID 18664197
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
acetic acid;2-methoxyhexan-1-ol
CID 71318556
butane;3-hydroxypropanoic acid
CID 87992662
2,5-bis(diethylamino)hexanedioic acid
CID 175154471
2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid
CID 150761087
acetic acid;butanoic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 87075600

Frequently Asked Questions

What is the IUPAC name of butane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+)?
The IUPAC name of butane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+) (CID 159326077) is butane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+).
What is the SMILES notation for butane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+)?
The canonical SMILES for butane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+) is CCCC.CCN(CC)C(C(=O)O)C(=O)O.O=[P+]([O-])OO.[CH2-]C(CO)C([NH-])CO.[H][H].[Pt+2].
What is the InChIKey of butane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+)?
The InChIKey is LZZIEBQWOKGTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4.C5H11NO2.C4H10.HO4P.Pt.H2/c1-3-8(4-2)5(6(9)10)7(11)12;1-4(2-7)5(6)3-8;1-3-4-2;1-4-5(2)3;;/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12);4-8H,1-3H2;3-4H2,1-2H3;1H;;1H/q;-2;;;+2;.
What are the key properties of butane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+)?
butane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+) has a molecular weight of 643.53 g/mol, XLogP of 1.25, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-(diethylamino)propanedioic acid;(1,4-dihydroxy-3-methanidylbutan-2-yl)azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+) is sourced from PubChem (CID 159326077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).