phosphoric acid;hexahydrate

H30O30P6 — CID 158346288

IUPACphosphoric acid;hexahydrate
SMILESO.O.O.O.O.O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/6H3O4P.6H2O/c6*1-5(2,3)4;;;;;;/h6*(H3,1,2,3,4);6*1H2
InChIKeyWSGKZVQLVAWFDZ-UHFFFAOYSA-N
MW696.05 g/mol
LogP-10.52
Rot. Bonds

About phosphoric acid;hexahydrate

phosphoric acid;hexahydrate (PubChem CID 158346288) has the molecular formula H30O30P6 and a molecular weight of 696.05 g/mol. Its IUPAC name is phosphoric acid;hexahydrate.

Molecular Properties

Compound Namephosphoric acid;hexahydrate
PubChem CID158346288
Molecular FormulaH30O30P6
Molecular Weight696.05 g/mol
Exact Mass695.92
IUPAC Namephosphoric acid;hexahydrate
SMILESO.O.O.O.O.O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/6H3O4P.6H2O/c6*1-5(2,3)4;;;;;;/h6*(H3,1,2,3,4);6*1H2
InChIKeyWSGKZVQLVAWFDZ-UHFFFAOYSA-N
XLogP-10.52
TPSA655.56 Ų
H-Bond Donors18
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.05
LogP ≤ 5-10.52
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

phosphoric acid;hydrate
CID 22023151
phosphoric acid;trihydrate
CID 18988970
phosphoric acid;octahydrate
CID 173160172
CID 173167224
CID 173167224
phosphoric acid;titanium;hydrate
CID 173357749
copper;phosphoric acid;hydrate
CID 516939
calcium;phosphoric acid;hydrate
CID 170923527
neodymium;phosphoric acid;hydrate
CID 156593884
phosphane;phosphoric acid;hydrate
CID 157469515
azane;phosphoric acid;hydrate
CID 173222009
phosphoric acid;zinc;octahydrate
CID 173057080
tetrasodium;hydride;phosphoric acid;decahydrate
CID 173083849

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;hexahydrate?
The IUPAC name of phosphoric acid;hexahydrate (CID 158346288) is phosphoric acid;hexahydrate.
What is the SMILES notation for phosphoric acid;hexahydrate?
The canonical SMILES for phosphoric acid;hexahydrate is O.O.O.O.O.O.O=P(O)(O)O.O=P(O)(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 phosphoric acid;hexahydrate?
The InChIKey is WSGKZVQLVAWFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/6H3O4P.6H2O/c6*1-5(2,3)4;;;;;;/h6*(H3,1,2,3,4);6*1H2.
What are the key properties of phosphoric acid;hexahydrate?
phosphoric acid;hexahydrate has a molecular weight of 696.05 g/mol, XLogP of -10.52, 0 rotatable bonds, 18 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;hexahydrate is sourced from PubChem (CID 158346288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).