zinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate

C5H13NO7P2Zn — CID 46918109

IUPACzinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate
SMILESCN(C)CCC(O)(P(=O)([O-])O)P(=O)([O-])O.[Zn+2]
InChIInChI=1S/C5H15NO7P2.Zn/c1-6(2)4-3-5(7,14(8,9)10)15(11,12)13;/h7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13);/q;+2/p-2
InChIKeyCDNJZVIQWTXUJF-UHFFFAOYSA-L
MW326.50 g/mol
LogP-2.33
Rot. Bonds5

About zinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate

zinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate (PubChem CID 46918109) has the molecular formula C5H13NO7P2Zn and a molecular weight of 326.50 g/mol. Its IUPAC name is zinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate.

Molecular Properties

Compound Namezinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate
PubChem CID46918109
Molecular FormulaC5H13NO7P2Zn
Molecular Weight326.50 g/mol
Exact Mass324.95
IUPAC Namezinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate
SMILESCN(C)CCC(O)(P(=O)([O-])O)P(=O)([O-])O.[Zn+2]
InChIInChI=1S/C5H15NO7P2.Zn/c1-6(2)4-3-5(7,14(8,9)10)15(11,12)13;/h7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13);/q;+2/p-2
InChIKeyCDNJZVIQWTXUJF-UHFFFAOYSA-L
XLogP-2.33
TPSA144.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.50
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

strontium hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]-3-[methyl(pentyl)amino]propyl]phosphinate
CID 45377824
trisodium;hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonatopropyl]phosphinate
CID 45275026
disodium;[3-amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate;dihydrate
CID 45358001
sodium;butan-1-ol;hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate;hydrate
CID 174522578
[3-[tert-butyl(methyl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid
CID 167049968
[2-(dimethylamino)-1-hydroxy-1-phosphonoethyl]phosphonic acid
CID 10955930
4-(dimethylamino)-2-methylbutan-2-ol;zirconium
CID 58881629
4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol
CID 88768729
[3-[2,2-dimethylbutyl(methyl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid
CID 71749147
[dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate
CID 23418291
tricalcium;2-(dimethylamino)acetic acid;diphosphate
CID 174914773
3-(dimethylamino)propane-1,1,1-trisulfonic acid
CID 175235835

Frequently Asked Questions

What is the IUPAC name of zinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate?
The IUPAC name of zinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate (CID 46918109) is zinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate.
What is the SMILES notation for zinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate?
The canonical SMILES for zinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate is CN(C)CCC(O)(P(=O)([O-])O)P(=O)([O-])O.[Zn+2].
What is the InChIKey of zinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate?
The InChIKey is CDNJZVIQWTXUJF-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H15NO7P2.Zn/c1-6(2)4-3-5(7,14(8,9)10)15(11,12)13;/h7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13);/q;+2/p-2.
What are the key properties of zinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate?
zinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate has a molecular weight of 326.50 g/mol, XLogP of -2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc [3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate is sourced from PubChem (CID 46918109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).