tetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium

C18H13Na4O6P3 — CID 101086425

IUPACtetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium
SMILES[Na+].[Na+].[Na+].[Na+].[O-][P+]([O-])([O-])c1cccc(P(c2ccccc2)c2cccc([P+]([O-])([O-])[O-])c2)c1
InChIInChI=1S/C18H17O6P3.4Na/c19-26(20,21)17-10-4-8-15(12-17)25(14-6-2-1-3-7-14)16-9-5-11-18(13-16)27(22,23)24;;;;/h1-13H,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4
InChIKeyDORQTWWESJSPJC-UHFFFAOYSA-J
MW510.18 g/mol
LogP-15.60
Rot. Bonds5

About tetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium

tetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium (PubChem CID 101086425) has the molecular formula C18H13Na4O6P3 and a molecular weight of 510.18 g/mol. Its IUPAC name is tetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium.

Molecular Properties

Compound Nametetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium
PubChem CID101086425
Molecular FormulaC18H13Na4O6P3
Molecular Weight510.18 g/mol
Exact Mass509.95
IUPAC Nametetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium
SMILES[Na+].[Na+].[Na+].[Na+].[O-][P+]([O-])([O-])c1cccc(P(c2ccccc2)c2cccc([P+]([O-])([O-])[O-])c2)c1
InChIInChI=1S/C18H17O6P3.4Na/c19-26(20,21)17-10-4-8-15(12-17)25(14-6-2-1-3-7-14)16-9-5-11-18(13-16)27(22,23)24;;;;/h1-13H,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4
InChIKeyDORQTWWESJSPJC-UHFFFAOYSA-J
XLogP-15.60
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.18
LogP ≤ 5-15.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367
triphenylphosphane
CID 139056248
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
tris(triphenylphosphane);hydrobromide
CID 172722268
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
CID 87948921
CID 87948921

Frequently Asked Questions

What is the IUPAC name of tetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium?
The IUPAC name of tetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium (CID 101086425) is tetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium.
What is the SMILES notation for tetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium?
The canonical SMILES for tetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium is [Na+].[Na+].[Na+].[Na+].[O-][P+]([O-])([O-])c1cccc(P(c2ccccc2)c2cccc([P+]([O-])([O-])[O-])c2)c1.
What is the InChIKey of tetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium?
The InChIKey is DORQTWWESJSPJC-UHFFFAOYSA-J. The full InChI is InChI=1S/C18H17O6P3.4Na/c19-26(20,21)17-10-4-8-15(12-17)25(14-6-2-1-3-7-14)16-9-5-11-18(13-16)27(22,23)24;;;;/h1-13H,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4.
What are the key properties of tetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium?
tetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium has a molecular weight of 510.18 g/mol, XLogP of -15.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;trioxido-[3-[phenyl-(3-phosphonatophenyl)phosphanyl]phenyl]phosphanium is sourced from PubChem (CID 101086425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).