dicarboxy carbonate;phosphoric acid

C3H5O11P — CID 160573536

IUPACdicarboxy carbonate;phosphoric acid
SMILESO=C(O)OC(=O)OC(=O)O.O=P(O)(O)O
InChIInChI=1S/C3H2O7.H3O4P/c4-1(5)9-3(8)10-2(6)7;1-5(2,3)4/h(H,4,5)(H,6,7);(H3,1,2,3,4)
InChIKeyRAVQYNZGIWVTKL-UHFFFAOYSA-N
MW248.04 g/mol
LogP-0.43
Rot. Bonds

About dicarboxy carbonate;phosphoric acid

dicarboxy carbonate;phosphoric acid (PubChem CID 160573536) has the molecular formula C3H5O11P and a molecular weight of 248.04 g/mol. Its IUPAC name is dicarboxy carbonate;phosphoric acid.

Molecular Properties

Compound Namedicarboxy carbonate;phosphoric acid
PubChem CID160573536
Molecular FormulaC3H5O11P
Molecular Weight248.04 g/mol
Exact Mass247.96
IUPAC Namedicarboxy carbonate;phosphoric acid
SMILESO=C(O)OC(=O)OC(=O)O.O=P(O)(O)O
InChIInChI=1S/C3H2O7.H3O4P/c4-1(5)9-3(8)10-2(6)7;1-5(2,3)4/h(H,4,5)(H,6,7);(H3,1,2,3,4)
InChIKeyRAVQYNZGIWVTKL-UHFFFAOYSA-N
XLogP-0.43
TPSA187.89 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.04
LogP ≤ 5-0.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dicarboxy carbonate
CID 18671322
dicarboxy carbonate;manganese
CID 174775106
azane;dicarboxy carbonate;zinc
CID 174882061
magnesium;bis(barium(2+));dicarboxy carbonate;hydride
CID 174349687
carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum
CID 175230414
disodium;copper;dicarboxy carbonate;hydride
CID 175456993
carboxyoxycarbonylphosphonic acid
CID 88697626
hydrogen peroxide;phosphoric acid
CID 18509931
carboxy hydrogen carbonate;hydrochloride
CID 141485807
magnesium;amino carboxy carbonate;difluoride
CID 173150021
strontium;carbonic acid;hydride;phosphoric acid
CID 173338489
dicalcium;carboxy hydrogen carbonate;hydride
CID 174530537

Frequently Asked Questions

What is the IUPAC name of dicarboxy carbonate;phosphoric acid?
The IUPAC name of dicarboxy carbonate;phosphoric acid (CID 160573536) is dicarboxy carbonate;phosphoric acid.
What is the SMILES notation for dicarboxy carbonate;phosphoric acid?
The canonical SMILES for dicarboxy carbonate;phosphoric acid is O=C(O)OC(=O)OC(=O)O.O=P(O)(O)O.
What is the InChIKey of dicarboxy carbonate;phosphoric acid?
The InChIKey is RAVQYNZGIWVTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O7.H3O4P/c4-1(5)9-3(8)10-2(6)7;1-5(2,3)4/h(H,4,5)(H,6,7);(H3,1,2,3,4).
What are the key properties of dicarboxy carbonate;phosphoric acid?
dicarboxy carbonate;phosphoric acid has a molecular weight of 248.04 g/mol, XLogP of -0.43, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicarboxy carbonate;phosphoric acid is sourced from PubChem (CID 160573536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).