azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid

C6H35N5O23P4 — CID 173367130

IUPACazane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid
SMILESN.N.N.N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C6H8O7.5H3N.4H3O4P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;4*1-5(2,3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5*1H3;4*(H3,1,2,3,4)
InChIKeyRZBOJRHHJCODRW-UHFFFAOYSA-N
MW669.25 g/mol
LogP-4.15
Rot. Bonds5

About azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid

azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid (PubChem CID 173367130) has the molecular formula C6H35N5O23P4 and a molecular weight of 669.25 g/mol. Its IUPAC name is azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid.

Molecular Properties

Compound Nameazane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid
PubChem CID173367130
Molecular FormulaC6H35N5O23P4
Molecular Weight669.25 g/mol
Exact Mass669.07
IUPAC Nameazane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid
SMILESN.N.N.N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C6H8O7.5H3N.4H3O4P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;4*1-5(2,3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5*1H3;4*(H3,1,2,3,4)
InChIKeyRZBOJRHHJCODRW-UHFFFAOYSA-N
XLogP-4.15
TPSA618.17 Ų
H-Bond Donors21
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500669.25
LogP ≤ 5-4.15
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid
CID 173242667
disodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate
CID 173298458
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate
CID 175162796
2-hydroxypropane-1,2,3-tricarboxylic acid;2-phosphonoacetic acid
CID 118416602
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;oxovanadium
CID 174576062
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
CID 173004565
CID 173004565

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid?
The IUPAC name of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid (CID 173367130) is azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid.
What is the SMILES notation for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid?
The canonical SMILES for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid is N.N.N.N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid?
The InChIKey is RZBOJRHHJCODRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.5H3N.4H3O4P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;4*1-5(2,3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5*1H3;4*(H3,1,2,3,4).
What are the key properties of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid?
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid has a molecular weight of 669.25 g/mol, XLogP of -4.15, 5 rotatable bonds, 21 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid is sourced from PubChem (CID 173367130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).