[(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol

C5H11O4P — CID 138632639

IUPAC[(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol
SMILESCO[P@@]1(=O)CC(CO)CO1
InChIInChI=1S/C5H11O4P/c1-8-10(7)4-5(2-6)3-9-10/h5-6H,2-4H2,1H3/t5?,10-/m0/s1
InChIKeyFJVYUBMJBLHJEG-MDNDIQLQSA-N
MW166.11 g/mol
LogP0.46
Rot. Bonds2

About [(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol

[(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol (PubChem CID 138632639) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is [(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol
PubChem CID138632639
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Name[(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol
SMILESCO[P@@]1(=O)CC(CO)CO1
InChIInChI=1S/C5H11O4P/c1-8-10(7)4-5(2-6)3-9-10/h5-6H,2-4H2,1H3/t5?,10-/m0/s1
InChIKeyFJVYUBMJBLHJEG-MDNDIQLQSA-N
XLogP0.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

deuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane
CID 161328994
(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate
CID 129043470
4-ethynyl-2-methoxy-4,5-dimethyl-1,2λ5-oxaphosphinane 2-oxide
CID 89442051
trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
CID 10330914
[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 102375568
cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol
CID 19012640
2-formylprop-2-enoxy(methyl)phosphinic acid;2-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-5-carbaldehyde;(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol;methylphosphonic acid;hydrate
CID 159423447
(2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol
CID 13309995
[4-(methoxymethyl)cyclohexyl]methanol
CID 19938783
[(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol
CID 100950413
[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol
CID 131019515
(2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol
CID 23420980

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol?
The IUPAC name of [(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol (CID 138632639) is [(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol.
What is the SMILES notation for [(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol?
The canonical SMILES for [(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol is CO[P@@]1(=O)CC(CO)CO1.
What is the InChIKey of [(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol?
The InChIKey is FJVYUBMJBLHJEG-MDNDIQLQSA-N. The full InChI is InChI=1S/C5H11O4P/c1-8-10(7)4-5(2-6)3-9-10/h5-6H,2-4H2,1H3/t5?,10-/m0/s1.
What are the key properties of [(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol?
[(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol has a molecular weight of 166.11 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol is sourced from PubChem (CID 138632639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).