(2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine

C11H24N5O5PPt — CID 10369770

IUPAC(2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1N.[H]N=P(N)(O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Pt+2]
InChIInChI=1S/C6H14N2.C5H12N3O5P.Pt/c7-5-3-1-2-4-6(5)8;6-14(7,13)8-3(5(11)12)1-2-4(9)10;/h5-6H,1-4,7-8H2;3H,1-2H2,(H,9,10)(H,11,12)(H5,6,7,8,13);/q;;+2/p-2/t5-,6-;3-;/m10./s1
InChIKeyVLAVTBJXPSEVEY-YSKOBYGBSA-L
MW532.40 g/mol
LogP-3.09
Rot. Bonds6

About (2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine

(2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine (PubChem CID 10369770) has the molecular formula C11H24N5O5PPt and a molecular weight of 532.40 g/mol. Its IUPAC name is (2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
PubChem CID10369770
Molecular FormulaC11H24N5O5PPt
Molecular Weight532.40 g/mol
Exact Mass532.12
IUPAC Name(2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1N.[H]N=P(N)(O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Pt+2]
InChIInChI=1S/C6H14N2.C5H12N3O5P.Pt/c7-5-3-1-2-4-6(5)8;6-14(7,13)8-3(5(11)12)1-2-4(9)10;/h5-6H,1-4,7-8H2;3H,1-2H2,(H,9,10)(H,11,12)(H5,6,7,8,13);/q;;+2/p-2/t5-,6-;3-;/m10./s1
InChIKeyVLAVTBJXPSEVEY-YSKOBYGBSA-L
XLogP-3.09
TPSA214.43 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.40
LogP ≤ 5-3.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,3-dihydroxybutanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 175900001
bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+))
CID 71481504
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 171040749
cyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+)
CID 71481438
cyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+))
CID 161329805
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride
CID 76683836
disodium;(2S)-2-(hydroxyamino)pentanedioate
CID 87933106
zinc (2S)-2-(carbamoylamino)pentanedioate
CID 175394718
bis(cyclohexane-1,2-diamine);oxalate;platinum(4+)
CID 173119560
cyclohexane-1,2-diamine;phosphoric acid
CID 70269724
cyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+)
CID 160782423
hydroxy-[[hydroxy(oxido)phosphoryl]methyl]phosphinate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 11225437

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
The IUPAC name of (2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine (CID 10369770) is (2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine.
What is the SMILES notation for (2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
The canonical SMILES for (2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine is N[C@@H]1CCCC[C@H]1N.[H]N=P(N)(O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Pt+2].
What is the InChIKey of (2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
The InChIKey is VLAVTBJXPSEVEY-YSKOBYGBSA-L. The full InChI is InChI=1S/C6H14N2.C5H12N3O5P.Pt/c7-5-3-1-2-4-6(5)8;6-14(7,13)8-3(5(11)12)1-2-4(9)10;/h5-6H,1-4,7-8H2;3H,1-2H2,(H,9,10)(H,11,12)(H5,6,7,8,13);/q;;+2/p-2/t5-,6-;3-;/m10./s1.
What are the key properties of (2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
(2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine has a molecular weight of 532.40 g/mol, XLogP of -3.09, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine is sourced from PubChem (CID 10369770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).