trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate

C6H13Na3O7 — CID 173458635

IUPACtrisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate
SMILESO.O=C(O)CC(CC(=O)O)C(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O6.3Na.H2O.3H/c7-4(8)1-3(6(11)12)2-5(9)10;;;;;;;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2;;;/q;3*+1;;3*-1
InChIKeyDJXUFPVODPOBBT-UHFFFAOYSA-N
MW266.13 g/mol
LogP-9.84
Rot. Bonds5

About trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate

trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate (PubChem CID 173458635) has the molecular formula C6H13Na3O7 and a molecular weight of 266.13 g/mol. Its IUPAC name is trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate.

Molecular Properties

Compound Nametrisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate
PubChem CID173458635
Molecular FormulaC6H13Na3O7
Molecular Weight266.13 g/mol
Exact Mass266.04
IUPAC Nametrisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate
SMILESO.O=C(O)CC(CC(=O)O)C(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O6.3Na.H2O.3H/c7-4(8)1-3(6(11)12)2-5(9)10;;;;;;;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2;;;/q;3*+1;;3*-1
InChIKeyDJXUFPVODPOBBT-UHFFFAOYSA-N
XLogP-9.84
TPSA143.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 5-9.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trisodium;hydride;propane-1,2,3-tricarboxylic acid
CID 173014092
2-(2-chloro-2-oxoethyl)butanedioic acid
CID 19364489
(2S)-2-ethylbutanedioic acid
CID 6997245
nonane-1,2,8,9-tetracarboxylic acid
CID 139878415
sodium;hydride;4-phosphonobutane-1,2,4-tricarboxylic acid
CID 175304454
4-hydroxybutane-1,2,4-tricarboxylic acid
CID 54238219
(2S)-2-propylbutanedioic acid
CID 12648185
2-(2-amino-2-iminoethyl)butanedioic acid
CID 58895649
2-aminopentanedioic acid;propane-1,2,3-tricarboxylic acid
CID 88608659
2-[2-(3,4-dicarboxybutyldiazenyl)ethyl]butanedioic acid
CID 141273463
2-(methylaminomethyl)butanedioic acid
CID 84651177
hexane-1,2,5-tricarboxylic acid
CID 14251275

Frequently Asked Questions

What is the IUPAC name of trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate?
The IUPAC name of trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate (CID 173458635) is trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate.
What is the SMILES notation for trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate?
The canonical SMILES for trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate is O.O=C(O)CC(CC(=O)O)C(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate?
The InChIKey is DJXUFPVODPOBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O6.3Na.H2O.3H/c7-4(8)1-3(6(11)12)2-5(9)10;;;;;;;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2;;;/q;3*+1;;3*-1.
What are the key properties of trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate?
trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate has a molecular weight of 266.13 g/mol, XLogP of -9.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate is sourced from PubChem (CID 173458635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).