azanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate

C2H11NNa2O12PS2+ — CID 162301729

IUPACazanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate
SMILESCC(=O)[O-].O=S(=O)(O)O.O=S(=O)([O-])[O-].O=[PH+]O.[NH4+].[Na+].[Na+]
InChIInChI=1S/C2H4O2.H3N.2Na.2H2O4S.HO2P/c1-2(3)4;;;;2*1-5(2,3)4;1-3-2/h1H3,(H,3,4);1H3;;;2*(H2,1,2,3,4);3H/q;;2*+1;;;/p-1
InChIKeyRDRFCFGVRDKOQN-UHFFFAOYSA-M
MW382.19 g/mol
LogP-8.93
Rot. Bonds

About azanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate

azanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate (PubChem CID 162301729) has the molecular formula C2H11NNa2O12PS2+ and a molecular weight of 382.19 g/mol. Its IUPAC name is azanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate.

Molecular Properties

Compound Nameazanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate
PubChem CID162301729
Molecular FormulaC2H11NNa2O12PS2+
Molecular Weight382.19 g/mol
Exact Mass381.93
IUPAC Nameazanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate
SMILESCC(=O)[O-].O=S(=O)(O)O.O=S(=O)([O-])[O-].O=[PH+]O.[NH4+].[Na+].[Na+]
InChIInChI=1S/C2H4O2.H3N.2Na.2H2O4S.HO2P/c1-2(3)4;;;;2*1-5(2,3)4;1-3-2/h1H3,(H,3,4);1H3;;;2*(H2,1,2,3,4);3H/q;;2*+1;;;/p-1
InChIKeyRDRFCFGVRDKOQN-UHFFFAOYSA-M
XLogP-8.93
TPSA268.79 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.19
LogP ≤ 5-8.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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CID 158924325
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CID 172678515
bis(manganese(2+));acetate;sulfate
CID 19995630
calcium;sulfuric acid;diacetate
CID 173099353
calcium;dilithium;diacetate;sulfate;trihydrate
CID 173240639
calcium;magnesium;acetate;sulfate
CID 161125656
tetrasodium;sulfuric acid;disulfate
CID 172828652
sodium;sulfuric acid;sulfate
CID 19758473
triazanium;sulfuric acid;chloride;sulfate
CID 157159319
azanium;cerium(3+);sulfuric acid;disulfate
CID 172712880
lithium;silver;sulfuric acid;sulfate
CID 158234411
nonasodium;nonaacetate
CID 173443222

Frequently Asked Questions

What is the IUPAC name of azanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate?
The IUPAC name of azanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate (CID 162301729) is azanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate.
What is the SMILES notation for azanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate?
The canonical SMILES for azanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate is CC(=O)[O-].O=S(=O)(O)O.O=S(=O)([O-])[O-].O=[PH+]O.[NH4+].[Na+].[Na+].
What is the InChIKey of azanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate?
The InChIKey is RDRFCFGVRDKOQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2.H3N.2Na.2H2O4S.HO2P/c1-2(3)4;;;;2*1-5(2,3)4;1-3-2/h1H3,(H,3,4);1H3;;;2*(H2,1,2,3,4);3H/q;;2*+1;;;/p-1.
What are the key properties of azanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate?
azanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate has a molecular weight of 382.19 g/mol, XLogP of -8.93, 0 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;disodium;hydroxy(oxo)phosphanium;sulfuric acid;acetate;sulfate is sourced from PubChem (CID 162301729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).