CID 159903683

C6H8Na3O7 — CID 159903683

IUPAC—
SMILESO=C(O)COC(CC(=O)O)C(=O)O.[Na].[Na].[Na]
InChIInChI=1S/C6H8O7.3Na/c7-4(8)1-3(6(11)12)13-2-5(9)10;;;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;
InChIKeyNWHBQWSRWDMJDX-UHFFFAOYSA-N
MW261.09 g/mol
LogP-2.13
Rot. Bonds6

About CID 159903683

CID 159903683 (PubChem CID 159903683) has the molecular formula C6H8Na3O7 and a molecular weight of 261.09 g/mol.

Molecular Properties

Compound NameCID 159903683
PubChem CID159903683
Molecular FormulaC6H8Na3O7
Molecular Weight261.09 g/mol
Exact Mass261.00
IUPAC Name—
SMILESO=C(O)COC(CC(=O)O)C(=O)O.[Na].[Na].[Na]
InChIInChI=1S/C6H8O7.3Na/c7-4(8)1-3(6(11)12)13-2-5(9)10;;;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;
InChIKeyNWHBQWSRWDMJDX-UHFFFAOYSA-N
XLogP-2.13
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 5-2.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trisodium;2-(carboxymethoxy)butanedioic acid;hydride
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2-(carboxymethoxy)butanedioic acid;tris(dodecan-1-amine)
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2-(aminomethoxy)butanedioic acid
CID 174248592
(2R)-2-ethoxybutanedioic acid
CID 101245963
dimagnesium bis(2-(carboxymethoxy)butanedioate)
CID 160715179
2-(2-deuterioethoxy)butanedioic acid
CID 175726030
3-(carboxymethoxy)-3-hydroxypropanoic acid
CID 173213514
2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid
CID 137372270
2-[2-[2-(1,2-dicarboxyethoxy)ethyl-methylamino]ethoxy]butanedioic acid
CID 18506229
2-(2,2-diethoxyethoxy)butanedioic acid
CID 150684486
1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid
CID 149436888
2-ethoxybutanedioic acid;propane-1,2-diol
CID 87565430

Frequently Asked Questions

What is the IUPAC name of CID 159903683?
The IUPAC name of CID 159903683 (CID 159903683) is not available.
What is the SMILES notation for CID 159903683?
The canonical SMILES for CID 159903683 is O=C(O)COC(CC(=O)O)C(=O)O.[Na].[Na].[Na].
What is the InChIKey of CID 159903683?
The InChIKey is NWHBQWSRWDMJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.3Na/c7-4(8)1-3(6(11)12)13-2-5(9)10;;;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;.
What are the key properties of CID 159903683?
CID 159903683 has a molecular weight of 261.09 g/mol, XLogP of -2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159903683 is sourced from PubChem (CID 159903683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).