azane;phosphoric acid;sulfuric acid

H10NO12PS2 — CID 173395945

IUPACazane;phosphoric acid;sulfuric acid
SMILESN.O=P(O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/H3N.H3O4P.2H2O4S/c;3*1-5(2,3)4/h1H3;(H3,1,2,3,4);2*(H2,1,2,3,4)
InChIKeyBNFZEMNQPHRSDG-UHFFFAOYSA-N
MW311.18 g/mol
LogP-2.07
Rot. Bonds

About azane;phosphoric acid;sulfuric acid

azane;phosphoric acid;sulfuric acid (PubChem CID 173395945) has the molecular formula H10NO12PS2 and a molecular weight of 311.18 g/mol. Its IUPAC name is azane;phosphoric acid;sulfuric acid.

Molecular Properties

Compound Nameazane;phosphoric acid;sulfuric acid
PubChem CID173395945
Molecular FormulaH10NO12PS2
Molecular Weight311.18 g/mol
Exact Mass310.94
IUPAC Nameazane;phosphoric acid;sulfuric acid
SMILESN.O=P(O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/H3N.H3O4P.2H2O4S/c;3*1-5(2,3)4/h1H3;(H3,1,2,3,4);2*(H2,1,2,3,4)
InChIKeyBNFZEMNQPHRSDG-UHFFFAOYSA-N
XLogP-2.07
TPSA261.96 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.18
LogP ≤ 5-2.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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boric acid;phosphoric acid;sulfuric acid
CID 159985541
phosphoric acid;phosphorous acid;sulfuric acid
CID 157192236
potassium;azane;dihydrogen phosphate;sulfuric acid
CID 174800048
sodium;azane;hydrogen sulfate;phosphoric acid
CID 174408552
phosphoric acid;sulfuric acid;trichlorophosphane
CID 174477268
lithium;azane;hydride;phosphoric acid
CID 173015565
tetralithium;phosphoric acid
CID 175822939
azane;sulfuric acid
CID 173165368

Frequently Asked Questions

What is the IUPAC name of azane;phosphoric acid;sulfuric acid?
The IUPAC name of azane;phosphoric acid;sulfuric acid (CID 173395945) is azane;phosphoric acid;sulfuric acid.
What is the SMILES notation for azane;phosphoric acid;sulfuric acid?
The canonical SMILES for azane;phosphoric acid;sulfuric acid is N.O=P(O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of azane;phosphoric acid;sulfuric acid?
The InChIKey is BNFZEMNQPHRSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/H3N.H3O4P.2H2O4S/c;3*1-5(2,3)4/h1H3;(H3,1,2,3,4);2*(H2,1,2,3,4).
What are the key properties of azane;phosphoric acid;sulfuric acid?
azane;phosphoric acid;sulfuric acid has a molecular weight of 311.18 g/mol, XLogP of -2.07, 0 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phosphoric acid;sulfuric acid is sourced from PubChem (CID 173395945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).