phosphane;phosphoric acid

H18O12P6 — CID 172840180

IUPACphosphane;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.P.P.P
InChIInChI=1S/3H3O4P.3H3P/c3*1-5(2,3)4;;;/h3*(H3,1,2,3,4);3*1H3
InChIKeyWRNCFKMSVNGRSR-UHFFFAOYSA-N
MW395.98 g/mol
LogP-2.61
Rot. Bonds

About phosphane;phosphoric acid

phosphane;phosphoric acid (PubChem CID 172840180) has the molecular formula H18O12P6 and a molecular weight of 395.98 g/mol. Its IUPAC name is phosphane;phosphoric acid.

Molecular Properties

Compound Namephosphane;phosphoric acid
PubChem CID172840180
Molecular FormulaH18O12P6
Molecular Weight395.98 g/mol
Exact Mass395.92
IUPAC Namephosphane;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.P.P.P
InChIInChI=1S/3H3O4P.3H3P/c3*1-5(2,3)4;;;/h3*(H3,1,2,3,4);3*1H3
InChIKeyWRNCFKMSVNGRSR-UHFFFAOYSA-N
XLogP-2.61
TPSA233.28 Ų
H-Bond Donors9
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.98
LogP ≤ 5-2.61
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phosphane;phosphoric acid
CID 173160232
phosphane;phosphoric acid;hexahydrochloride
CID 175124967
arsane;phosphane;phosphoric acid
CID 175145230
phosphane;phosphoric acid;hydrate
CID 157469515
azane;phosphane;phosphoric acid;sulfane
CID 174747347
iron;nickel;phosphane;phosphoric acid
CID 175517636
phosphoric acid;titanium
CID 173034953
phosphoric acid;octahydrate
CID 173160172
CID 159816390
CID 159816390
hydrogen peroxide;phosphoric acid
CID 18509931
methane;phosphoric acid
CID 18515646
cerium;phosphoric acid
CID 90659592

Frequently Asked Questions

What is the IUPAC name of phosphane;phosphoric acid?
The IUPAC name of phosphane;phosphoric acid (CID 172840180) is phosphane;phosphoric acid.
What is the SMILES notation for phosphane;phosphoric acid?
The canonical SMILES for phosphane;phosphoric acid is O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.P.P.P.
What is the InChIKey of phosphane;phosphoric acid?
The InChIKey is WRNCFKMSVNGRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/3H3O4P.3H3P/c3*1-5(2,3)4;;;/h3*(H3,1,2,3,4);3*1H3.
What are the key properties of phosphane;phosphoric acid?
phosphane;phosphoric acid has a molecular weight of 395.98 g/mol, XLogP of -2.61, 0 rotatable bonds, 9 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;phosphoric acid is sourced from PubChem (CID 172840180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).