(2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate

C6H8NO5P — CID 54352633

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate
SMILESO=C(COP)On1c(O)ccc1O
InChIInChI=1S/C6H8NO5P/c8-4-1-2-5(9)7(4)12-6(10)3-11-13/h1-2,8-9H,3,13H2
InChIKeyUGVVGRISWCQEMM-UHFFFAOYSA-N
MW205.11 g/mol
LogP-0.34
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate

(2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate (PubChem CID 54352633) has the molecular formula C6H8NO5P and a molecular weight of 205.11 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate
PubChem CID54352633
Molecular FormulaC6H8NO5P
Molecular Weight205.11 g/mol
Exact Mass205.01
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate
SMILESO=C(COP)On1c(O)ccc1O
InChIInChI=1S/C6H8NO5P/c8-4-1-2-5(9)7(4)12-6(10)3-11-13/h1-2,8-9H,3,13H2
InChIKeyUGVVGRISWCQEMM-UHFFFAOYSA-N
XLogP-0.34
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.11
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2,5-dihydroxypyrrol-1-yl) docosanedioate
CID 90829981
(2,5-dihydroxypyrrol-1-yl) 2-cyanoacetate
CID 54124320
(2,5-dihydroxypyrrol-1-yl) phosphanylformate
CID 123415594
(2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate
CID 54365996
5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid
CID 54518514
(2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate
CID 91419311
(2,5-dihydroxypyrrol-1-yl) 11-sulfanylundecanoate
CID 91565220
bis(2,5-dihydroxypyrrol-1-yl) 3-propanoylpentanedioate
CID 91473077
4-O-(2,5-dihydroxypyrrol-1-yl) 1-O-(2-methoxyethyl) butanedioate
CID 90907971
(2,5-dihydroxypyrrol-1-yl) 3-(4-hydroxyphenoxy)propanoate
CID 91318802
7-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl heptanedioate
CID 123764437
(2,5-dihydroxypyrrol-1-yl) 11-methylsulfanylundecanoate
CID 90732127

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate (CID 54352633) is (2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate is O=C(COP)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate?
The InChIKey is UGVVGRISWCQEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO5P/c8-4-1-2-5(9)7(4)12-6(10)3-11-13/h1-2,8-9H,3,13H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate?
(2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate has a molecular weight of 205.11 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate is sourced from PubChem (CID 54352633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).