azane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate

C6H17N2O9PPt — CID 173440071

IUPACazane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate
SMILESN.N.O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[Pt+2]
InChIInChI=1S/C6H13O9P.2H3N.Pt/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;;/h4-7,9-11H,1-2H2,(H2,12,13,14);2*1H3;/q;;;+2/p-2/t4-,5-,6-;;;/m1.../s1
InChIKeyNZJMYTYONKHIAJ-BQHLMXRXSA-L
MW487.26 g/mol
LogP-4.20
Rot. Bonds7

About azane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate

azane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate (PubChem CID 173440071) has the molecular formula C6H17N2O9PPt and a molecular weight of 487.26 g/mol. Its IUPAC name is azane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate.

Molecular Properties

Compound Nameazane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate
PubChem CID173440071
Molecular FormulaC6H17N2O9PPt
Molecular Weight487.26 g/mol
Exact Mass487.03
IUPAC Nameazane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate
SMILESN.N.O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[Pt+2]
InChIInChI=1S/C6H13O9P.2H3N.Pt/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;;/h4-7,9-11H,1-2H2,(H2,12,13,14);2*1H3;/q;;;+2/p-2/t4-,5-,6-;;;/m1.../s1
InChIKeyNZJMYTYONKHIAJ-BQHLMXRXSA-L
XLogP-4.20
TPSA240.41 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500487.26
LogP ≤ 5-4.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate
CID 23615358
dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate
CID 91872652
sodium;hydride;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] dihydrogen phosphate
CID 173404445
tetrasodium;[(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonatooxyhexyl] phosphate;hydrate
CID 146014410
zinc;2,3,4,5,6-pentahydroxyhexanoate;(2,3,4,6-tetrahydroxy-5-oxohexyl) hydrogen phosphate
CID 175106834
trisodium;(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-phosphonatooxyhexanoate
CID 53393638
barium(2+);[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl] phosphate
CID 117072657
disodium;(3,4,5,6-tetrahydroxy-2-oxohexyl) phosphate
CID 164512399
3,4,5-trihydroxy-6-phosphonatooxyhexanoate
CID 21130360
disodium;[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexyl] phosphate
CID 172676675
(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate
CID 59071501
(3-hydroxy-2-oxopropyl) dihydrogen phosphate;(2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl) dihydrogen phosphate
CID 135309142

Frequently Asked Questions

What is the IUPAC name of azane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate?
The IUPAC name of azane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate (CID 173440071) is azane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate.
What is the SMILES notation for azane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate?
The canonical SMILES for azane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate is N.N.O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[Pt+2].
What is the InChIKey of azane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate?
The InChIKey is NZJMYTYONKHIAJ-BQHLMXRXSA-L. The full InChI is InChI=1S/C6H13O9P.2H3N.Pt/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;;/h4-7,9-11H,1-2H2,(H2,12,13,14);2*1H3;/q;;;+2/p-2/t4-,5-,6-;;;/m1.../s1.
What are the key properties of azane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate?
azane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate has a molecular weight of 487.26 g/mol, XLogP of -4.20, 7 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate is sourced from PubChem (CID 173440071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).