sodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate

C4H16AsNaO8P2+2 — CID 173239949

IUPACsodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate
SMILESO.O.O.O=[P+]([O-])C(O)(CCC[AsH2])[P+](=O)O.[Na+]
InChIInChI=1S/C4H9AsO5P2.Na.3H2O/c5-3-1-2-4(6,11(7)8)12(9)10;;;;/h6H,1-3,5H2;;3*1H2/q;+1;;;/p+1
InChIKeyQJWWWIHRKCHBBQ-UHFFFAOYSA-O
MW352.02 g/mol
LogP-6.17
Rot. Bonds5

About sodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate

sodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate (PubChem CID 173239949) has the molecular formula C4H16AsNaO8P2+2 and a molecular weight of 352.02 g/mol. Its IUPAC name is sodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate.

Molecular Properties

Compound Namesodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate
PubChem CID173239949
Molecular FormulaC4H16AsNaO8P2+2
Molecular Weight352.02 g/mol
Exact Mass351.94
IUPAC Namesodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate
SMILESO.O.O.O=[P+]([O-])C(O)(CCC[AsH2])[P+](=O)O.[Na+]
InChIInChI=1S/C4H9AsO5P2.Na.3H2O/c5-3-1-2-4(6,11(7)8)12(9)10;;;;/h6H,1-3,5H2;;3*1H2/q;+1;;;/p+1
InChIKeyQJWWWIHRKCHBBQ-UHFFFAOYSA-O
XLogP-6.17
TPSA192.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.02
LogP ≤ 5-6.17
H-Bond Donors ≤ 52
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

4-arsanylbutane-1,1,1-triamine
CID 173424412
dicalcium;sodium;pentakis(dioxido(oxo)phosphanium)
CID 138394183
hydron;phosphenic acid
CID 170839114
disodium;2-dodecyl-2-phosphobutanedioate
CID 139629234
hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium
CID 22644301
ethylaluminum(2+);phosphenic acid
CID 158590735
octasodium;bis(4-amino-1,1-diphosphonatobutan-1-ol);trihydrate
CID 173068909
calcium;bis(dioxido(oxo)phosphanium);hydron
CID 158864827
CID 175732949
CID 175732949
sodium;phosphenic acid;propylsulfanium;hydroxide
CID 159299520
aluminum;sodium;tetrakis(dioxido(oxo)phosphanium)
CID 173111312
dihydroxy(oxo)phosphanium;tungsten;hydrate
CID 20688098

Frequently Asked Questions

What is the IUPAC name of sodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate?
The IUPAC name of sodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate (CID 173239949) is sodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate.
What is the SMILES notation for sodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate?
The canonical SMILES for sodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate is O.O.O.O=[P+]([O-])C(O)(CCC[AsH2])[P+](=O)O.[Na+].
What is the InChIKey of sodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate?
The InChIKey is QJWWWIHRKCHBBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9AsO5P2.Na.3H2O/c5-3-1-2-4(6,11(7)8)12(9)10;;;;/h6H,1-3,5H2;;3*1H2/q;+1;;;/p+1.
What are the key properties of sodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate?
sodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate has a molecular weight of 352.02 g/mol, XLogP of -6.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate is sourced from PubChem (CID 173239949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).