azane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+)

C13H25N3O10Pt — CID 11854160

IUPACazane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+)
SMILESN.N.O=C(CCCC(C(=O)[O-])C(=O)[O-])NC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.[Pt+2]
InChIInChI=1S/C13H21NO10.2H3N.Pt/c15-7(3-1-2-5(11(19)20)12(21)22)14-4-6-8(16)9(17)10(18)13(23)24-6;;;/h5-6,8-10,13,16-18,23H,1-4H2,(H,14,15)(H,19,20)(H,21,22);2*1H3;/q;;;+2/p-2/t6-,8+,9+,10-,13?;;;/m1.../s1
InChIKeyUUKIHFFRWUFARO-AKOLHXBHSA-L
MW578.43 g/mol
LogP-5.49
Rot. Bonds8

About azane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+)

azane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+) (PubChem CID 11854160) has the molecular formula C13H25N3O10Pt and a molecular weight of 578.43 g/mol. Its IUPAC name is azane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+).

Molecular Properties

Compound Nameazane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+)
PubChem CID11854160
Molecular FormulaC13H25N3O10Pt
Molecular Weight578.43 g/mol
Exact Mass578.12
IUPAC Nameazane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+)
SMILESN.N.O=C(CCCC(C(=O)[O-])C(=O)[O-])NC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.[Pt+2]
InChIInChI=1S/C13H21NO10.2H3N.Pt/c15-7(3-1-2-5(11(19)20)12(21)22)14-4-6-8(16)9(17)10(18)13(23)24-6;;;/h5-6,8-10,13,16-18,23H,1-4H2,(H,14,15)(H,19,20)(H,21,22);2*1H3;/q;;;+2/p-2/t6-,8+,9+,10-,13?;;;/m1.../s1
InChIKeyUUKIHFFRWUFARO-AKOLHXBHSA-L
XLogP-5.49
TPSA269.51 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500578.43
LogP ≤ 5-5.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze azane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+) with MolForge

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Launch Full Analysis

Related Compounds

2-[4-oxo-4-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioic acid
CID 11854164
5-[[(2S)-3,6-dihydroxy-1-oxo-1-[[(2S,3S,4R,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]hexan-2-yl]amino]-5-oxopentanoic acid
CID 10622864
5-[[4-hydroxy-2-(hydroxymethyl)-1-oxo-1-[[(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butan-2-yl]amino]-5-oxopentanoic acid
CID 46842730
trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium
CID 101185586
N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide
CID 11708716
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
2-[(2S,3R,4S,5S,6S)-2-[(2R,3S,4R,5S,6R)-6-[(11-aminoundecanoylamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid
CID 46842504
(2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 97302383
3-hydroxy-4-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]cyclobut-3-ene-1,2-dione
CID 155811588
[4-oxo-4-[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]butyl]-triphenylphosphanium
CID 101349422
(2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol
CID 56634119
N-[[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]acetamide
CID 146048184

Frequently Asked Questions

What is the IUPAC name of azane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+)?
The IUPAC name of azane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+) (CID 11854160) is azane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+).
What is the SMILES notation for azane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+)?
The canonical SMILES for azane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+) is N.N.O=C(CCCC(C(=O)[O-])C(=O)[O-])NC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.[Pt+2].
What is the InChIKey of azane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+)?
The InChIKey is UUKIHFFRWUFARO-AKOLHXBHSA-L. The full InChI is InChI=1S/C13H21NO10.2H3N.Pt/c15-7(3-1-2-5(11(19)20)12(21)22)14-4-6-8(16)9(17)10(18)13(23)24-6;;;/h5-6,8-10,13,16-18,23H,1-4H2,(H,14,15)(H,19,20)(H,21,22);2*1H3;/q;;;+2/p-2/t6-,8+,9+,10-,13?;;;/m1.../s1.
What are the key properties of azane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+)?
azane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+) has a molecular weight of 578.43 g/mol, XLogP of -5.49, 8 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[4-oxo-4-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methylamino]butyl]propanedioate;platinum(2+) is sourced from PubChem (CID 11854160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).