tris(2,5-dioxopyrrolidin-1-yl) phosphate

C12H12N3O10P — CID 130416779

IUPACtris(2,5-dioxopyrrolidin-1-yl) phosphate
SMILESO=C1CCC(=O)N1OP(=O)(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H12N3O10P/c16-7-1-2-8(17)13(7)23-26(22,24-14-9(18)3-4-10(14)19)25-15-11(20)5-6-12(15)21/h1-6H2
InChIKeyRQXKRQQXSIXCHW-UHFFFAOYSA-N
MW389.21 g/mol
LogP-0.66
Rot. Bonds6

About tris(2,5-dioxopyrrolidin-1-yl) phosphate

tris(2,5-dioxopyrrolidin-1-yl) phosphate (PubChem CID 130416779) has the molecular formula C12H12N3O10P and a molecular weight of 389.21 g/mol. Its IUPAC name is tris(2,5-dioxopyrrolidin-1-yl) phosphate.

Molecular Properties

Compound Nametris(2,5-dioxopyrrolidin-1-yl) phosphate
PubChem CID130416779
Molecular FormulaC12H12N3O10P
Molecular Weight389.21 g/mol
Exact Mass389.03
IUPAC Nametris(2,5-dioxopyrrolidin-1-yl) phosphate
SMILESO=C1CCC(=O)N1OP(=O)(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H12N3O10P/c16-7-1-2-8(17)13(7)23-26(22,24-14-9(18)3-4-10(14)19)25-15-11(20)5-6-12(15)21/h1-6H2
InChIKeyRQXKRQQXSIXCHW-UHFFFAOYSA-N
XLogP-0.66
TPSA156.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid
CID 174926925
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione
CID 154979386
1-(3-methoxypropoxy)pyrrolidine-2,5-dione
CID 59274176
1-methoxyazepane-2,7-dione
CID 134892605
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
N-(2,5-dioxopyrrolidin-1-yl)oxyformamide
CID 88980282
sodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride
CID 175400890
(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
CID 58362051
(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
CID 87500433
(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen
CID 177137018
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156

Frequently Asked Questions

What is the IUPAC name of tris(2,5-dioxopyrrolidin-1-yl) phosphate?
The IUPAC name of tris(2,5-dioxopyrrolidin-1-yl) phosphate (CID 130416779) is tris(2,5-dioxopyrrolidin-1-yl) phosphate.
What is the SMILES notation for tris(2,5-dioxopyrrolidin-1-yl) phosphate?
The canonical SMILES for tris(2,5-dioxopyrrolidin-1-yl) phosphate is O=C1CCC(=O)N1OP(=O)(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of tris(2,5-dioxopyrrolidin-1-yl) phosphate?
The InChIKey is RQXKRQQXSIXCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N3O10P/c16-7-1-2-8(17)13(7)23-26(22,24-14-9(18)3-4-10(14)19)25-15-11(20)5-6-12(15)21/h1-6H2.
What are the key properties of tris(2,5-dioxopyrrolidin-1-yl) phosphate?
tris(2,5-dioxopyrrolidin-1-yl) phosphate has a molecular weight of 389.21 g/mol, XLogP of -0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,5-dioxopyrrolidin-1-yl) phosphate is sourced from PubChem (CID 130416779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).