2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium

C8H20N2O6P2-2 — CID 3455058

IUPAC2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium
SMILESCC(C)([NH2+]CC[NH2+]C(C)(C)P(=O)([O-])[O-])P(=O)([O-])[O-]
InChIInChI=1S/C8H22N2O6P2/c1-7(2,17(11,12)13)9-5-6-10-8(3,4)18(14,15)16/h9-10H,5-6H2,1-4H3,(H2,11,12,13)(H2,14,15,16)/p-2
InChIKeyOMDINQXXJNQASU-UHFFFAOYSA-L
MW302.20 g/mol
LogP-4.59
Rot. Bonds7

About 2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium

2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium (PubChem CID 3455058) has the molecular formula C8H20N2O6P2-2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium.

Molecular Properties

Compound Name2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium
PubChem CID3455058
Molecular FormulaC8H20N2O6P2-2
Molecular Weight302.20 g/mol
Exact Mass302.08
IUPAC Name2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium
SMILESCC(C)([NH2+]CC[NH2+]C(C)(C)P(=O)([O-])[O-])P(=O)([O-])[O-]
InChIInChI=1S/C8H22N2O6P2/c1-7(2,17(11,12)13)9-5-6-10-8(3,4)18(14,15)16/h9-10H,5-6H2,1-4H3,(H2,11,12,13)(H2,14,15,16)/p-2
InChIKeyOMDINQXXJNQASU-UHFFFAOYSA-L
XLogP-4.59
TPSA159.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 5-4.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 155673850
phosphate octahydrate
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dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane
CID 19347926
aluminum tris(tert-butyl(methyl)phosphinate)
CID 173016084
aluminum tris(ditert-butylphosphinate)
CID 175284123
tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate
CID 177074901
2-(tert-butylazaniumyl)ethyl dodecyl phosphate
CID 15742035
dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid
CID 71435964
octacalcium;phosphate;pentahydrate
CID 22051766
bis(barium(2+));niobium(5+);triphosphate
CID 173131360
cerium(3+);phosphate;dihydrate
CID 158488180
tris(titanium(4+));tetraphosphate;dihydrate
CID 172694967

Frequently Asked Questions

What is the IUPAC name of 2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium?
The IUPAC name of 2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium (CID 3455058) is 2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium.
What is the SMILES notation for 2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium?
The canonical SMILES for 2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium is CC(C)([NH2+]CC[NH2+]C(C)(C)P(=O)([O-])[O-])P(=O)([O-])[O-].
What is the InChIKey of 2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium?
The InChIKey is OMDINQXXJNQASU-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H22N2O6P2/c1-7(2,17(11,12)13)9-5-6-10-8(3,4)18(14,15)16/h9-10H,5-6H2,1-4H3,(H2,11,12,13)(H2,14,15,16)/p-2.
What are the key properties of 2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium?
2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium has a molecular weight of 302.20 g/mol, XLogP of -4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium is sourced from PubChem (CID 3455058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).