tridecasodium;hydride;pentakis(2-hydroxypropanoic acid)

C15H43Na13O15 — CID 173456242

IUPACtridecasodium;hydride;pentakis(2-hydroxypropanoic acid)
SMILESCC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/5C3H6O3.13Na.13H/c5*1-2(4)3(5)6;;;;;;;;;;;;;;;;;;;;;;;;;;/h5*2,4H,1H3,(H,5,6);;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;13*+1;13*-1
InChIKeyYJSKXDDRZCAAOE-UHFFFAOYSA-N
MW762.36 g/mol
LogP-40.23
Rot. Bonds5

About tridecasodium;hydride;pentakis(2-hydroxypropanoic acid)

tridecasodium;hydride;pentakis(2-hydroxypropanoic acid) (PubChem CID 173456242) has the molecular formula C15H43Na13O15 and a molecular weight of 762.36 g/mol. Its IUPAC name is tridecasodium;hydride;pentakis(2-hydroxypropanoic acid).

Molecular Properties

Compound Nametridecasodium;hydride;pentakis(2-hydroxypropanoic acid)
PubChem CID173456242
Molecular FormulaC15H43Na13O15
Molecular Weight762.36 g/mol
Exact Mass762.13
IUPAC Nametridecasodium;hydride;pentakis(2-hydroxypropanoic acid)
SMILESCC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/5C3H6O3.13Na.13H/c5*1-2(4)3(5)6;;;;;;;;;;;;;;;;;;;;;;;;;;/h5*2,4H,1H3,(H,5,6);;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;13*+1;13*-1
InChIKeyYJSKXDDRZCAAOE-UHFFFAOYSA-N
XLogP-40.23
TPSA287.65 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.36
LogP ≤ 5-40.23
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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Related Compounds

magnesium;sodium;hydride;2-hydroxypropanoic acid
CID 175010169
dilithium;hydride;2-hydroxypropanoic acid
CID 174731520
hydride;2-hydroxypropanoic acid;rubidium(1+)
CID 173047351
2-hydroxypropanoic acid
CID 87075455
calcium;hydride;2-hydroxypropanoic acid;tetrahydrate
CID 173372729
tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid
CID 174343261
calcium;hydride;2-hydroxypropanoic acid;dihydrate
CID 173144735
CID 123133976
CID 123133976
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
2-hydroxypropanoic acid;mercury
CID 88512020

Frequently Asked Questions

What is the IUPAC name of tridecasodium;hydride;pentakis(2-hydroxypropanoic acid)?
The IUPAC name of tridecasodium;hydride;pentakis(2-hydroxypropanoic acid) (CID 173456242) is tridecasodium;hydride;pentakis(2-hydroxypropanoic acid).
What is the SMILES notation for tridecasodium;hydride;pentakis(2-hydroxypropanoic acid)?
The canonical SMILES for tridecasodium;hydride;pentakis(2-hydroxypropanoic acid) is CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tridecasodium;hydride;pentakis(2-hydroxypropanoic acid)?
The InChIKey is YJSKXDDRZCAAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/5C3H6O3.13Na.13H/c5*1-2(4)3(5)6;;;;;;;;;;;;;;;;;;;;;;;;;;/h5*2,4H,1H3,(H,5,6);;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;13*+1;13*-1.
What are the key properties of tridecasodium;hydride;pentakis(2-hydroxypropanoic acid)?
tridecasodium;hydride;pentakis(2-hydroxypropanoic acid) has a molecular weight of 762.36 g/mol, XLogP of -40.23, 5 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tridecasodium;hydride;pentakis(2-hydroxypropanoic acid) is sourced from PubChem (CID 173456242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).