tris(pyrrolidin-1-ium);phosphate

C12H30N3O4P — CID 156786945

IUPACtris(pyrrolidin-1-ium);phosphate
SMILESC1CC[NH2+]C1.C1CC[NH2+]C1.C1CC[NH2+]C1.O=P([O-])([O-])[O-]
InChIInChI=1S/3C4H9N.H3O4P/c3*1-2-4-5-3-1;1-5(2,3)4/h3*5H,1-4H2;(H3,1,2,3,4)
InChIKeyMYMPHYBZQPRJRU-UHFFFAOYSA-N
MW311.36 g/mol
LogP-4.79
Rot. Bonds

About tris(pyrrolidin-1-ium);phosphate

tris(pyrrolidin-1-ium);phosphate (PubChem CID 156786945) has the molecular formula C12H30N3O4P and a molecular weight of 311.36 g/mol. Its IUPAC name is tris(pyrrolidin-1-ium);phosphate.

Molecular Properties

Compound Nametris(pyrrolidin-1-ium);phosphate
PubChem CID156786945
Molecular FormulaC12H30N3O4P
Molecular Weight311.36 g/mol
Exact Mass311.20
IUPAC Nametris(pyrrolidin-1-ium);phosphate
SMILESC1CC[NH2+]C1.C1CC[NH2+]C1.C1CC[NH2+]C1.O=P([O-])([O-])[O-]
InChIInChI=1S/3C4H9N.H3O4P/c3*1-2-4-5-3-1;1-5(2,3)4/h3*5H,1-4H2;(H3,1,2,3,4)
InChIKeyMYMPHYBZQPRJRU-UHFFFAOYSA-N
XLogP-4.79
TPSA136.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-4.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(pyrrolidin-1-ium) dichloride
CID 141446574
CID 23618823
CID 23618823
hydrogen sulfate;pyrrolidin-1-ium
CID 68807993
bis(piperidin-1-ium) diacetate
CID 141266266
hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium
CID 139063738
1,4,8,11-tetrazoniacyclotetradecane
CID 7157052
sodium;piperidin-1-ium;acetate;hydroxide
CID 140685864
gadolinium phosphate
CID 6365243
bis(gadolinium(3+)) diphosphate
CID 172754975
trialuminum;triphosphate
CID 23371115
dipotassium diphosphate
CID 18612384
zinc phosphate
CID 131721340

Frequently Asked Questions

What is the IUPAC name of tris(pyrrolidin-1-ium);phosphate?
The IUPAC name of tris(pyrrolidin-1-ium);phosphate (CID 156786945) is tris(pyrrolidin-1-ium);phosphate.
What is the SMILES notation for tris(pyrrolidin-1-ium);phosphate?
The canonical SMILES for tris(pyrrolidin-1-ium);phosphate is C1CC[NH2+]C1.C1CC[NH2+]C1.C1CC[NH2+]C1.O=P([O-])([O-])[O-].
What is the InChIKey of tris(pyrrolidin-1-ium);phosphate?
The InChIKey is MYMPHYBZQPRJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9N.H3O4P/c3*1-2-4-5-3-1;1-5(2,3)4/h3*5H,1-4H2;(H3,1,2,3,4).
What are the key properties of tris(pyrrolidin-1-ium);phosphate?
tris(pyrrolidin-1-ium);phosphate has a molecular weight of 311.36 g/mol, XLogP of -4.79, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(pyrrolidin-1-ium);phosphate is sourced from PubChem (CID 156786945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).