2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc

C8H20O6P2Zn — CID 87107997

IUPAC2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc
SMILESCC(C)(O)P(=O)(O)CCP(=O)(O)C(C)(C)O.[Zn]
InChIInChI=1S/C8H20O6P2.Zn/c1-7(2,9)15(11,12)5-6-16(13,14)8(3,4)10;/h9-10H,5-6H2,1-4H3,(H,11,12)(H,13,14);
InChIKeyGNEHGWOLIAWZAH-UHFFFAOYSA-N
MW339.58 g/mol
LogP0.98
Rot. Bonds5

About 2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc

2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc (PubChem CID 87107997) has the molecular formula C8H20O6P2Zn and a molecular weight of 339.58 g/mol. Its IUPAC name is 2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc.

Molecular Properties

Compound Name2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc
PubChem CID87107997
Molecular FormulaC8H20O6P2Zn
Molecular Weight339.58 g/mol
Exact Mass338.00
IUPAC Name2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc
SMILESCC(C)(O)P(=O)(O)CCP(=O)(O)C(C)(C)O.[Zn]
InChIInChI=1S/C8H20O6P2.Zn/c1-7(2,9)15(11,12)5-6-16(13,14)8(3,4)10;/h9-10H,5-6H2,1-4H3,(H,11,12)(H,13,14);
InChIKeyGNEHGWOLIAWZAH-UHFFFAOYSA-N
XLogP0.98
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.58
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butane-2,2,3,3-tetrol;phosphoric acid
CID 172831212
(2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid
CID 14325355
aminomethyl(tert-butyl)phosphinic acid
CID 14024293
3,3-dimethylbutylphosphonic acid
CID 15402429
phosphoric acid;tris(2,4,4-trimethylpentan-2-ol)
CID 71361678
3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid
CID 19090902
[hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid
CID 13141546
methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid
CID 158654735
trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid
CID 173043131
(2-amino-1-chloropropan-2-yl)phosphonic acid
CID 87518546
(2-hydroxy-2-methyl-3-oxopropyl) dihydrogen phosphate
CID 90769020
phosphoric acid;zinc
CID 173400996

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc?
The IUPAC name of 2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc (CID 87107997) is 2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc.
What is the SMILES notation for 2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc?
The canonical SMILES for 2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc is CC(C)(O)P(=O)(O)CCP(=O)(O)C(C)(C)O.[Zn].
What is the InChIKey of 2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc?
The InChIKey is GNEHGWOLIAWZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O6P2.Zn/c1-7(2,9)15(11,12)5-6-16(13,14)8(3,4)10;/h9-10H,5-6H2,1-4H3,(H,11,12)(H,13,14);.
What are the key properties of 2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc?
2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc has a molecular weight of 339.58 g/mol, XLogP of 0.98, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc is sourced from PubChem (CID 87107997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).