bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate

C6H15BiO12 — CID 175376328

IUPACbismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
SMILESO.O.O.O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Bi+3]
InChIInChI=1S/C6H8O7.Bi.5H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;5*1H2/q;+3;;;;;/p-3
InChIKeyJUYCSQDKHMUVBS-UHFFFAOYSA-K
MW488.15 g/mol
LogP-9.76
Rot. Bonds5

About bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate

bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate (PubChem CID 175376328) has the molecular formula C6H15BiO12 and a molecular weight of 488.15 g/mol. Its IUPAC name is bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate.

Molecular Properties

Compound Namebismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
PubChem CID175376328
Molecular FormulaC6H15BiO12
Molecular Weight488.15 g/mol
Exact Mass488.04
IUPAC Namebismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
SMILESO.O.O.O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Bi+3]
InChIInChI=1S/C6H8O7.Bi.5H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;5*1H2/q;+3;;;;;/p-3
InChIKeyJUYCSQDKHMUVBS-UHFFFAOYSA-K
XLogP-9.76
TPSA298.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.15
LogP ≤ 5-9.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703
bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate
CID 2735068
tricalcium;bis(2-hydroxypropane-1,2,3-tricarboxylate);octahydrate
CID 86269183
2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate
CID 160518842
bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate
CID 19784307
trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate
CID 172770656
trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate
CID 53249332
tricalcium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 23154181
dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021

Frequently Asked Questions

What is the IUPAC name of bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate?
The IUPAC name of bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate (CID 175376328) is bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate.
What is the SMILES notation for bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate?
The canonical SMILES for bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate is O.O.O.O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Bi+3].
What is the InChIKey of bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate?
The InChIKey is JUYCSQDKHMUVBS-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.Bi.5H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;5*1H2/q;+3;;;;;/p-3.
What are the key properties of bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate?
bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate has a molecular weight of 488.15 g/mol, XLogP of -9.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate is sourced from PubChem (CID 175376328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).