(3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one

C4H9NO3P2 — CID 118549630

IUPAC(3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one
SMILESO=C1[C@H](OP)[C@H](CO)N1P
InChIInChI=1S/C4H9NO3P2/c6-1-2-3(8-10)4(7)5(2)9/h2-3,6H,1,9-10H2/t2-,3+/m0/s1
InChIKeyFCKWROOLSOKCRC-STHAYSLISA-N
MW181.07 g/mol
LogP-0.85
Rot. Bonds2

About (3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one

(3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one (PubChem CID 118549630) has the molecular formula C4H9NO3P2 and a molecular weight of 181.07 g/mol. Its IUPAC name is (3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one
PubChem CID118549630
Molecular FormulaC4H9NO3P2
Molecular Weight181.07 g/mol
Exact Mass181.01
IUPAC Name(3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one
SMILESO=C1[C@H](OP)[C@H](CO)N1P
InChIInChI=1S/C4H9NO3P2/c6-1-2-3(8-10)4(7)5(2)9/h2-3,6H,1,9-10H2/t2-,3+/m0/s1
InChIKeyFCKWROOLSOKCRC-STHAYSLISA-N
XLogP-0.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.07
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one (CID 118549630) is (3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one is O=C1[C@H](OP)[C@H](CO)N1P.
What is the InChIKey of (3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one?
The InChIKey is FCKWROOLSOKCRC-STHAYSLISA-N. The full InChI is InChI=1S/C4H9NO3P2/c6-1-2-3(8-10)4(7)5(2)9/h2-3,6H,1,9-10H2/t2-,3+/m0/s1.
What are the key properties of (3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one?
(3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one has a molecular weight of 181.07 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(hydroxymethyl)-1-phosphanyl-3-phosphanyloxyazetidin-2-one is sourced from PubChem (CID 118549630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).