disodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate

C6H27Na2O18P — CID 173298458

IUPACdisodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate
SMILESO.O.O.O.O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=P(O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C6H8O7.2Na.H3O4P.7H2O.2H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;1-5(2,3)4;;;;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;(H3,1,2,3,4);7*1H2;;/q;2*+1;;;;;;;;;2*-1
InChIKeyUXQRLMAYTSETFY-UHFFFAOYSA-N
MW464.22 g/mol
LogP-13.72
Rot. Bonds5

About disodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate

disodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate (PubChem CID 173298458) has the molecular formula C6H27Na2O18P and a molecular weight of 464.22 g/mol. Its IUPAC name is disodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate.

Molecular Properties

Compound Namedisodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate
PubChem CID173298458
Molecular FormulaC6H27Na2O18P
Molecular Weight464.22 g/mol
Exact Mass464.07
IUPAC Namedisodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate
SMILESO.O.O.O.O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=P(O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C6H8O7.2Na.H3O4P.7H2O.2H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;1-5(2,3)4;;;;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;(H3,1,2,3,4);7*1H2;;/q;2*+1;;;;;;;;;2*-1
InChIKeyUXQRLMAYTSETFY-UHFFFAOYSA-N
XLogP-13.72
TPSA430.39 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.22
LogP ≤ 5-13.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid
CID 173367130
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid
CID 173242667
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
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate
CID 174869049
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
disodium;dihydrogen phosphate;2-hydroxypropane-1,2,3-tricarboxylic acid;chloride;hydrate
CID 173345229
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516
CID 173238603
CID 173238603
hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate
CID 173194055
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
CID 173003621

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate?
The IUPAC name of disodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate (CID 173298458) is disodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate.
What is the SMILES notation for disodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate?
The canonical SMILES for disodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate is O.O.O.O.O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=P(O)(O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate?
The InChIKey is UXQRLMAYTSETFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.2Na.H3O4P.7H2O.2H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;1-5(2,3)4;;;;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;(H3,1,2,3,4);7*1H2;;/q;2*+1;;;;;;;;;2*-1.
What are the key properties of disodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate?
disodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate has a molecular weight of 464.22 g/mol, XLogP of -13.72, 5 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate is sourced from PubChem (CID 173298458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).