2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide

C5H11NO5P2 — CID 101154328

IUPAC2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide
SMILESO=P1(O)OP(=O)(O)C1N1CCCC1
InChIInChI=1S/C5H11NO5P2/c7-12(8)5(13(9,10)11-12)6-3-1-2-4-6/h5H,1-4H2,(H,7,8)(H,9,10)
InChIKeyHTVNOPHMGIBPSL-UHFFFAOYSA-N
MW227.09 g/mol
LogP0.77
Rot. Bonds1

About 2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide

2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide (PubChem CID 101154328) has the molecular formula C5H11NO5P2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide.

Molecular Properties

Compound Name2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide
PubChem CID101154328
Molecular FormulaC5H11NO5P2
Molecular Weight227.09 g/mol
Exact Mass227.01
IUPAC Name2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide
SMILESO=P1(O)OP(=O)(O)C1N1CCCC1
InChIInChI=1S/C5H11NO5P2/c7-12(8)5(13(9,10)11-12)6-3-1-2-4-6/h5H,1-4H2,(H,7,8)(H,9,10)
InChIKeyHTVNOPHMGIBPSL-UHFFFAOYSA-N
XLogP0.77
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide with MolForge

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Related Compounds

N-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine
CID 101196354
(3R)-3-piperidin-1-yloxiran-2-ol
CID 155221642
1-(oxiran-2-yl)piperidine
CID 19935661
9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide
CID 171050825
(2S,3S)-3-piperidin-1-yloxan-2-ol
CID 21150559
N-cyclohexyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 23604706
(2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide
CID 95240709
1-(1,3-dioxol-2-yl)pyrrolidine
CID 67972450
(2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide
CID 95240707
1-cyclopropylpiperidine
CID 10909573
N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
CID 128692366
1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 175899155

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide?
The IUPAC name of 2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide (CID 101154328) is 2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide.
What is the SMILES notation for 2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide?
The canonical SMILES for 2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide is O=P1(O)OP(=O)(O)C1N1CCCC1.
What is the InChIKey of 2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide?
The InChIKey is HTVNOPHMGIBPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5P2/c7-12(8)5(13(9,10)11-12)6-3-1-2-4-6/h5H,1-4H2,(H,7,8)(H,9,10).
What are the key properties of 2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide?
2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide has a molecular weight of 227.09 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide is sourced from PubChem (CID 101154328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).