carboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol

C10H24I2NO7V+ — CID 160556348

IUPACcarboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol
SMILESC[N+](C)(CCO)C(=O)O.I[V]I.OCC(O)C(CO)CO
InChIInChI=1S/C5H11NO3.C5H12O4.2HI.V/c1-6(2,3-4-7)5(8)9;6-1-4(2-7)5(9)3-8;;;/h7H,3-4H2,1-2H3;4-9H,1-3H2;2*1H;/q;;;;+2/p-1
InChIKeyQYSRWMGFVJIVPT-UHFFFAOYSA-M
MW575.05 g/mol
LogP-0.56
Rot. Bonds6

About carboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol

carboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol (PubChem CID 160556348) has the molecular formula C10H24I2NO7V+ and a molecular weight of 575.05 g/mol. Its IUPAC name is carboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol.

Molecular Properties

Compound Namecarboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol
PubChem CID160556348
Molecular FormulaC10H24I2NO7V+
Molecular Weight575.05 g/mol
Exact Mass574.91
IUPAC Namecarboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol
SMILESC[N+](C)(CCO)C(=O)O.I[V]I.OCC(O)C(CO)CO
InChIInChI=1S/C5H11NO3.C5H12O4.2HI.V/c1-6(2,3-4-7)5(8)9;6-1-4(2-7)5(9)3-8;;;/h7H,3-4H2,1-2H3;4-9H,1-3H2;2*1H;/q;;;;+2/p-1
InChIKeyQYSRWMGFVJIVPT-UHFFFAOYSA-M
XLogP-0.56
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.05
LogP ≤ 5-0.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

carboxy-(2-hydroxyethyl)-dimethylazanium
CID 18716499
2-(hydroxymethyl)pentane-1,3,5-triol
CID 123357506
4,7-dihydroxy-3-(hydroxymethyl)heptanoic acid
CID 57220607
carbonic acid;ethane-1,2-diol;propane-1,2-diol
CID 175558536
(Z)-but-2-enedioic acid;2-hydroxyethyl(trimethyl)azanium;propane-1,2-diol;chloride
CID 175602102
carbonic acid;(2S)-propane-1,2-diol
CID 70700046
acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282
carboxy-ethyl-dimethylazanium
CID 23191690
2-aminopropanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174331247
2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium
CID 155059662
5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol
CID 91301231
2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride
CID 138673415

Frequently Asked Questions

What is the IUPAC name of carboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol?
The IUPAC name of carboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol (CID 160556348) is carboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol.
What is the SMILES notation for carboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol?
The canonical SMILES for carboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol is C[N+](C)(CCO)C(=O)O.I[V]I.OCC(O)C(CO)CO.
What is the InChIKey of carboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol?
The InChIKey is QYSRWMGFVJIVPT-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO3.C5H12O4.2HI.V/c1-6(2,3-4-7)5(8)9;6-1-4(2-7)5(9)3-8;;;/h7H,3-4H2,1-2H3;4-9H,1-3H2;2*1H;/q;;;;+2/p-1.
What are the key properties of carboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol?
carboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol has a molecular weight of 575.05 g/mol, XLogP of -0.56, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol is sourced from PubChem (CID 160556348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).