(2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol

C5H11O4P — CID 23420977

IUPAC(2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol
SMILESCO[P@]1(=O)O[C@@H](C)C[C@@H]1O
InChIInChI=1S/C5H11O4P/c1-4-3-5(6)10(7,8-2)9-4/h4-6H,3H2,1-2H3/t4-,5+,10-/m0/s1
InChIKeyDAFIDEDRUUHSFZ-LYAQYDMKSA-N
MW166.11 g/mol
LogP0.95
Rot. Bonds1

About (2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol

(2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol (PubChem CID 23420977) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is (2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol.

Molecular Properties

Compound Name(2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol
PubChem CID23420977
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Name(2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol
SMILESCO[P@]1(=O)O[C@@H](C)C[C@@H]1O
InChIInChI=1S/C5H11O4P/c1-4-3-5(6)10(7,8-2)9-4/h4-6H,3H2,1-2H3/t4-,5+,10-/m0/s1
InChIKeyDAFIDEDRUUHSFZ-LYAQYDMKSA-N
XLogP0.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol?
The IUPAC name of (2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol (CID 23420977) is (2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol.
What is the SMILES notation for (2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol?
The canonical SMILES for (2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol is CO[P@]1(=O)O[C@@H](C)C[C@@H]1O.
What is the InChIKey of (2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol?
The InChIKey is DAFIDEDRUUHSFZ-LYAQYDMKSA-N. The full InChI is InChI=1S/C5H11O4P/c1-4-3-5(6)10(7,8-2)9-4/h4-6H,3H2,1-2H3/t4-,5+,10-/m0/s1.
What are the key properties of (2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol?
(2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol has a molecular weight of 166.11 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol is sourced from PubChem (CID 23420977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).