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

C5H6NO4P — CID 123415594

IUPAC(2,5-dihydroxypyrrol-1-yl) phosphanylformate
SMILESO=C(P)On1c(O)ccc1O
InChIInChI=1S/C5H6NO4P/c7-3-1-2-4(8)6(3)10-5(9)11/h1-2,7-8H,11H2
InChIKeyLINIWUSDTLEGJD-UHFFFAOYSA-N
MW175.08 g/mol
LogP0.32
Rot. Bonds1

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

(2,5-dihydroxypyrrol-1-yl) phosphanylformate (PubChem CID 123415594) has the molecular formula C5H6NO4P and a molecular weight of 175.08 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) phosphanylformate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) phosphanylformate
PubChem CID123415594
Molecular FormulaC5H6NO4P
Molecular Weight175.08 g/mol
Exact Mass175.00
IUPAC Name(2,5-dihydroxypyrrol-1-yl) phosphanylformate
SMILESO=C(P)On1c(O)ccc1O
InChIInChI=1S/C5H6NO4P/c7-3-1-2-4(8)6(3)10-5(9)11/h1-2,7-8H,11H2
InChIKeyLINIWUSDTLEGJD-UHFFFAOYSA-N
XLogP0.32
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.08
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate
CID 54352633
bis(2,5-dihydroxypyrrol-1-yl) docosanedioate
CID 90829981
(2,5-dihydroxypyrrol-1-yl) ethenyl carbonate
CID 54445744
(2,5-dihydroxypyrrol-1-yl) 2-cyanoacetate
CID 54124320
(2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate
CID 123633272
4-O-(2,5-dihydroxypyrrol-1-yl) 1-O-(2-methoxyethyl) butanedioate
CID 90907971
5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid
CID 54518514
(2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate
CID 123604144
(2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate
CID 54485637
(2,5-dihydroxypyrrol-1-yl) 3-hydroxypropyl carbonate
CID 90710397
(2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate
CID 91419311
(2,5-dihydroxypyrrol-1-yl) 11-sulfanylundecanoate
CID 91565220

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) phosphanylformate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) phosphanylformate (CID 123415594) is (2,5-dihydroxypyrrol-1-yl) phosphanylformate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) phosphanylformate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) phosphanylformate is O=C(P)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) phosphanylformate?
The InChIKey is LINIWUSDTLEGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NO4P/c7-3-1-2-4(8)6(3)10-5(9)11/h1-2,7-8H,11H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) phosphanylformate?
(2,5-dihydroxypyrrol-1-yl) phosphanylformate has a molecular weight of 175.08 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) phosphanylformate is sourced from PubChem (CID 123415594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).