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

C6H8ClNaO7 — CID 173100482

IUPACsodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride
SMILESO=C(O)CC(CC(=O)O)(OCl)C(=O)O.[H-].[Na+]
InChIInChI=1S/C6H7ClO7.Na.H/c7-14-6(5(12)13,1-3(8)9)2-4(10)11;;/h1-2H2,(H,8,9)(H,10,11)(H,12,13);;/q;+1;-1
InChIKeyYELBSGWEZYRBNM-UHFFFAOYSA-N
MW250.57 g/mol
LogP-2.95
Rot. Bonds6

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

sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride (PubChem CID 173100482) has the molecular formula C6H8ClNaO7 and a molecular weight of 250.57 g/mol. Its IUPAC name is sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride.

Molecular Properties

Compound Namesodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride
PubChem CID173100482
Molecular FormulaC6H8ClNaO7
Molecular Weight250.57 g/mol
Exact Mass249.99
IUPAC Namesodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride
SMILESO=C(O)CC(CC(=O)O)(OCl)C(=O)O.[H-].[Na+]
InChIInChI=1S/C6H7ClO7.Na.H/c7-14-6(5(12)13,1-3(8)9)2-4(10)11;;/h1-2H2,(H,8,9)(H,10,11)(H,12,13);;/q;+1;-1
InChIKeyYELBSGWEZYRBNM-UHFFFAOYSA-N
XLogP-2.95
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.57
LogP ≤ 5-2.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

disodium;hydride;2-(1,2,3-tricarboxypropan-2-yloxycarbonyloxy)propane-1,2,3-tricarboxylic acid
CID 175275851
2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid
CID 88843175
magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid
CID 173025437
2-[3-(1,2,3-tricarboxypropan-2-yloxy)propoxy]propane-1,2,3-tricarboxylic acid
CID 58640862
2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid
CID 57221790
potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride
CID 175386311
2-(cyanomethoxy)propane-1,2,3-tricarboxylic acid
CID 175228620
trisodium;2-(3,4-dicarboxy-3-hydroxybutanoyl)oxypropane-1,2,3-tricarboxylic acid;hydride;trihydrate
CID 173324117
sodium;hydride;3,3,3-trichloropropanoic acid
CID 175000936
pentacalcium;copper;hydride;bis(2-phosphonooxypropane-1,2,3-tricarboxylic acid)
CID 173287882
2-acetylperoxypropane-1,2,3-tricarboxylic acid
CID 174930883
2-oxaldehydoyloxypropane-1,2,3-tricarboxylic acid
CID 54454570

Frequently Asked Questions

What is the IUPAC name of sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride?
The IUPAC name of sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride (CID 173100482) is sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride.
What is the SMILES notation for sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride?
The canonical SMILES for sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride is O=C(O)CC(CC(=O)O)(OCl)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride?
The InChIKey is YELBSGWEZYRBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO7.Na.H/c7-14-6(5(12)13,1-3(8)9)2-4(10)11;;/h1-2H2,(H,8,9)(H,10,11)(H,12,13);;/q;+1;-1.
What are the key properties of sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride?
sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride has a molecular weight of 250.57 g/mol, XLogP of -2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride is sourced from PubChem (CID 173100482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).