boric acid;phosphoric acid;hydrate

H8BO8P — CID 172863992

IUPACboric acid;phosphoric acid;hydrate
SMILESO.O=P(O)(O)O.OB(O)O
InChIInChI=1S/BH3O3.H3O4P.H2O/c2-1(3)4;1-5(2,3)4;/h2-4H;(H3,1,2,3,4);1H2
InChIKeyZSTYJOMUIBXGHS-UHFFFAOYSA-N
MW177.84 g/mol
LogP-3.81
Rot. Bonds

About boric acid;phosphoric acid;hydrate

boric acid;phosphoric acid;hydrate (PubChem CID 172863992) has the molecular formula H8BO8P and a molecular weight of 177.84 g/mol. Its IUPAC name is boric acid;phosphoric acid;hydrate.

Molecular Properties

Compound Nameboric acid;phosphoric acid;hydrate
PubChem CID172863992
Molecular FormulaH8BO8P
Molecular Weight177.84 g/mol
Exact Mass178.00
IUPAC Nameboric acid;phosphoric acid;hydrate
SMILESO.O=P(O)(O)O.OB(O)O
InChIInChI=1S/BH3O3.H3O4P.H2O/c2-1(3)4;1-5(2,3)4;/h2-4H;(H3,1,2,3,4);1H2
InChIKeyZSTYJOMUIBXGHS-UHFFFAOYSA-N
XLogP-3.81
TPSA169.95 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500177.84
LogP ≤ 5-3.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 173167224
CID 173167224
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CID 173160172
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CID 22023151
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CID 18988970
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CID 160607615
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CID 159063190
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CID 174726607
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CID 173357749
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CID 516939
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Frequently Asked Questions

What is the IUPAC name of boric acid;phosphoric acid;hydrate?
The IUPAC name of boric acid;phosphoric acid;hydrate (CID 172863992) is boric acid;phosphoric acid;hydrate.
What is the SMILES notation for boric acid;phosphoric acid;hydrate?
The canonical SMILES for boric acid;phosphoric acid;hydrate is O.O=P(O)(O)O.OB(O)O.
What is the InChIKey of boric acid;phosphoric acid;hydrate?
The InChIKey is ZSTYJOMUIBXGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3.H3O4P.H2O/c2-1(3)4;1-5(2,3)4;/h2-4H;(H3,1,2,3,4);1H2.
What are the key properties of boric acid;phosphoric acid;hydrate?
boric acid;phosphoric acid;hydrate has a molecular weight of 177.84 g/mol, XLogP of -3.81, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;phosphoric acid;hydrate is sourced from PubChem (CID 172863992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).