calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid

C10H19CaO16P — CID 174903110

About calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid

calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid (PubChem CID 174903110) has the molecular formula C10H19CaO16P and a molecular weight of 466.30 g/mol. Its IUPAC name is calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid.

Molecular Properties

• Compound Name: calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid
• PubChem CID: 174903110
• Molecular Formula: C10H19CaO16P
• Molecular Weight: 466.30 g/mol
• Exact Mass: 466.00
• IUPAC Name: calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid
• SMILES: O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)C(=O)O.O=P(O)(O)O.[Ca+2].[H-].[H-]
• InChI: InChI=1S/C6H8O7.C4H6O5.Ca.H3O4P.2H/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-2(4(8)9)1-3(6)7;;1-5(2,3)4;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5H,1H2,(H,6,7)(H,8,9);;(H3,1,2,3,4);;/q;;+2;;2*-1
• InChIKey: KRZMDIKQBSZDTC-UHFFFAOYSA-N
• XLogP: -3.43
• TPSA: 304.72 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.30
LogP ≤ 5	-3.43
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid?

The IUPAC name of calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid (CID 174903110) is calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid.

What is the SMILES notation for calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid?

The canonical SMILES for calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)C(=O)O.O=P(O)(O)O.[Ca+2].[H-].[H-].

What is the InChIKey of calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid?

The InChIKey is KRZMDIKQBSZDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C4H6O5.Ca.H3O4P.2H/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-2(4(8)9)1-3(6)7;;1-5(2,3)4;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5H,1H2,(H,6,7)(H,8,9);;(H3,1,2,3,4);;/q;;+2;;2*-1.

What are the key properties of calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid?

calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid has a molecular weight of 466.30 g/mol, XLogP of -3.43, 8 rotatable bonds, 10 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid is sourced from PubChem (CID 174903110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).