trideuterio phosphate

H3O4P — CID 3084191

IUPACtrideuterio phosphate
SMILES[2H]OP(=O)(O[2H])O[2H]
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/i/hD3
InChIKeyNBIIXXVUZAFLBC-ZRLBSURWSA-N
MW101.01 g/mol
LogP-0.93
Rot. Bonds3

About trideuterio phosphate

trideuterio phosphate (PubChem CID 3084191) has the molecular formula H3O4P and a molecular weight of 101.01 g/mol. Its IUPAC name is trideuterio phosphate.

Molecular Properties

Compound Nametrideuterio phosphate
PubChem CID3084191
Molecular FormulaH3O4P
Molecular Weight101.01 g/mol
Exact Mass101.00
IUPAC Nametrideuterio phosphate
SMILES[2H]OP(=O)(O[2H])O[2H]
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/i/hD3
InChIKeyNBIIXXVUZAFLBC-ZRLBSURWSA-N
XLogP-0.93
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.01
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trideuterio phosphate?
The IUPAC name of trideuterio phosphate (CID 3084191) is trideuterio phosphate.
What is the SMILES notation for trideuterio phosphate?
The canonical SMILES for trideuterio phosphate is [2H]OP(=O)(O[2H])O[2H].
What is the InChIKey of trideuterio phosphate?
The InChIKey is NBIIXXVUZAFLBC-ZRLBSURWSA-N. The full InChI is InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/i/hD3.
What are the key properties of trideuterio phosphate?
trideuterio phosphate has a molecular weight of 101.01 g/mol, XLogP of -0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trideuterio phosphate is sourced from PubChem (CID 3084191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).