azane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride

C9H23FN2O10 — CID 174525270

IUPACazane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride
SMILESF.N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O.OCC(O)CO
InChIInChI=1S/C6H8O7.C3H8O3.FH.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-1-3(6)2-5;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-6H,1-2H2;1H;2*1H3
InChIKeyVIBXMKGMROZPAN-UHFFFAOYSA-N
MW338.29 g/mol
LogP-2.44
Rot. Bonds7

About azane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride

azane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride (PubChem CID 174525270) has the molecular formula C9H23FN2O10 and a molecular weight of 338.29 g/mol. Its IUPAC name is azane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride.

Molecular Properties

Compound Nameazane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride
PubChem CID174525270
Molecular FormulaC9H23FN2O10
Molecular Weight338.29 g/mol
Exact Mass338.13
IUPAC Nameazane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride
SMILESF.N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O.OCC(O)CO
InChIInChI=1S/C6H8O7.C3H8O3.FH.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-1-3(6)2-5;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-6H,1-2H2;1H;2*1H3
InChIKeyVIBXMKGMROZPAN-UHFFFAOYSA-N
XLogP-2.44
TPSA262.82 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.29
LogP ≤ 5-2.44
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride?
The IUPAC name of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride (CID 174525270) is azane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride.
What is the SMILES notation for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride?
The canonical SMILES for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride is F.N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O.OCC(O)CO.
What is the InChIKey of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride?
The InChIKey is VIBXMKGMROZPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C3H8O3.FH.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-1-3(6)2-5;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-6H,1-2H2;1H;2*1H3.
What are the key properties of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride?
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride has a molecular weight of 338.29 g/mol, XLogP of -2.44, 7 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride is sourced from PubChem (CID 174525270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).