sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid

C7H11NaO7 — CID 175068957

IUPACsodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid
SMILESCC(O)(C(=O)O)C(CC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C7H10O7.Na.H/c1-7(14,6(12)13)3(5(10)11)2-4(8)9;;/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13);;/q;+1;-1
InChIKeyFMSRLIUCPJLIFN-UHFFFAOYSA-N
MW230.15 g/mol
LogP-3.89
Rot. Bonds5

About sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid

sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid (PubChem CID 175068957) has the molecular formula C7H11NaO7 and a molecular weight of 230.15 g/mol. Its IUPAC name is sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namesodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid
PubChem CID175068957
Molecular FormulaC7H11NaO7
Molecular Weight230.15 g/mol
Exact Mass230.04
IUPAC Namesodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid
SMILESCC(O)(C(=O)O)C(CC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C7H10O7.Na.H/c1-7(14,6(12)13)3(5(10)11)2-4(8)9;;/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13);;/q;+1;-1
InChIKeyFMSRLIUCPJLIFN-UHFFFAOYSA-N
XLogP-3.89
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 5-3.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylpropane-1,1,2,3-tetracarboxylic acid
CID 101279085
3-hydroxypentane-1,2,3-tricarboxylic acid
CID 19799958
3-phosphorosobutane-1,2,3-tricarboxylic acid
CID 174406294
1-chloropropane-1,1,2,3-tetracarboxylic acid
CID 88740081
2-(2-methylpentan-2-yl)butanedioic acid
CID 121418792
1-hydroxy-1-phosphonopropane-1,2,3-tricarboxylic acid
CID 18534068
2-hydroxypropane-1,1,2-tricarboxylic acid
CID 15842075
2-[2-(diaminomethylideneamino)propan-2-yl]butanedioic acid
CID 118327982
2-(2-methoxy-3-oxobutan-2-yl)butanedioic acid
CID 58012582
(2R)-2-hydroxy-2,3-dimethylbutanedioic acid
CID 87312032
3-acetyl-2-hydroxy-2-propan-2-ylpentanedioic acid
CID 88891507
trisodium;hydride;propane-1,2,3-tricarboxylic acid
CID 173014092

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid?
The IUPAC name of sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid (CID 175068957) is sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid.
What is the SMILES notation for sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid?
The canonical SMILES for sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid is CC(O)(C(=O)O)C(CC(=O)O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid?
The InChIKey is FMSRLIUCPJLIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O7.Na.H/c1-7(14,6(12)13)3(5(10)11)2-4(8)9;;/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13);;/q;+1;-1.
What are the key properties of sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid?
sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid has a molecular weight of 230.15 g/mol, XLogP of -3.89, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 175068957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).