[(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol

C4H8FO4P — CID 58881743

IUPAC[(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol
SMILESO=P1(O)O[C@H](CO)CC1F
InChIInChI=1S/C4H8FO4P/c5-4-1-3(2-6)9-10(4,7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4?/m0/s1
InChIKeyNLSXCNDBGYUJFL-WUCPZUCCSA-N
MW170.08 g/mol
LogP0.25
Rot. Bonds1

About [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol

[(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol (PubChem CID 58881743) has the molecular formula C4H8FO4P and a molecular weight of 170.08 g/mol. Its IUPAC name is [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol.

Molecular Properties

Compound Name[(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol
PubChem CID58881743
Molecular FormulaC4H8FO4P
Molecular Weight170.08 g/mol
Exact Mass170.01
IUPAC Name[(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol
SMILESO=P1(O)O[C@H](CO)CC1F
InChIInChI=1S/C4H8FO4P/c5-4-1-3(2-6)9-10(4,7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4?/m0/s1
InChIKeyNLSXCNDBGYUJFL-WUCPZUCCSA-N
XLogP0.25
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one
CID 14859657
(2S)-6-(hydroxymethyl)oxane-2,4-diol
CID 147942620
(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol
CID 54034612
(3R,5S)-5-(hydroxymethyl)oxolan-3-ol
CID 5289103
[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
(6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol
CID 44582844
carbonochloridic acid;oxolan-2-ylmethanol
CID 161118728
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
[(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol
CID 101003866
(5-fluorooxan-2-yl)methanol
CID 90449117
oxiran-2-ylmethanol;phosphoric acid
CID 87891587
(3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one
CID 163712625

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol?
The IUPAC name of [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol (CID 58881743) is [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol.
What is the SMILES notation for [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol?
The canonical SMILES for [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol is O=P1(O)O[C@H](CO)CC1F.
What is the InChIKey of [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol?
The InChIKey is NLSXCNDBGYUJFL-WUCPZUCCSA-N. The full InChI is InChI=1S/C4H8FO4P/c5-4-1-3(2-6)9-10(4,7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4?/m0/s1.
What are the key properties of [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol?
[(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol has a molecular weight of 170.08 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol is sourced from PubChem (CID 58881743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).