dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate

C6H20Ca2O11 — CID 175537707

IUPACdicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
SMILESO.O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/C6H8O7.2Ca.4H2O.4H/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);;;4*1H2;;;;/q;2*+2;;;;;4*-1
InChIKeyDRAQSUGORIIOQG-UHFFFAOYSA-N
MW348.37 g/mol
LogP-4.86
Rot. Bonds5

About dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate

dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate (PubChem CID 175537707) has the molecular formula C6H20Ca2O11 and a molecular weight of 348.37 g/mol. Its IUPAC name is dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate.

Molecular Properties

Compound Namedicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
PubChem CID175537707
Molecular FormulaC6H20Ca2O11
Molecular Weight348.37 g/mol
Exact Mass348.03
IUPAC Namedicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
SMILESO.O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/C6H8O7.2Ca.4H2O.4H/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);;;4*1H2;;;;/q;2*+2;;;;;4*-1
InChIKeyDRAQSUGORIIOQG-UHFFFAOYSA-N
XLogP-4.86
TPSA258.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 5-4.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501
trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173006490
magnesium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hexahydrate
CID 173498708
dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 174842577
hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate
CID 173194055
trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate
CID 173246705
barium(2+);hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173410096
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512

Frequently Asked Questions

What is the IUPAC name of dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate?
The IUPAC name of dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate (CID 175537707) is dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate.
What is the SMILES notation for dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate?
The canonical SMILES for dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate is O.O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].
What is the InChIKey of dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate?
The InChIKey is DRAQSUGORIIOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.2Ca.4H2O.4H/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);;;4*1H2;;;;/q;2*+2;;;;;4*-1.
What are the key properties of dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate?
dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate has a molecular weight of 348.37 g/mol, XLogP of -4.86, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate is sourced from PubChem (CID 175537707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).