(2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol

C6H13O4P — CID 13309995

IUPAC(2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol
SMILESCO[P@@]1(=O)OC[C@@H](C)[C@@]1(C)O
InChIInChI=1S/C6H13O4P/c1-5-4-10-11(8,9-3)6(5,2)7/h5,7H,4H2,1-3H3/t5-,6+,11-/m1/s1
InChIKeyJSEUGISGCSTXLN-LJNABYEQSA-N
MW180.14 g/mol
LogP1.20
Rot. Bonds1

About (2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol

(2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol (PubChem CID 13309995) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is (2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol
PubChem CID13309995
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name(2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol
SMILESCO[P@@]1(=O)OC[C@@H](C)[C@@]1(C)O
InChIInChI=1S/C6H13O4P/c1-5-4-10-11(8,9-3)6(5,2)7/h5,7H,4H2,1-3H3/t5-,6+,11-/m1/s1
InChIKeyJSEUGISGCSTXLN-LJNABYEQSA-N
XLogP1.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

4-ethynyl-2-methoxy-4,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 89446919
4-ethynyl-2-methoxy-4,5-dimethyl-1,2λ5-oxaphosphinane 2-oxide
CID 89442051
(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
CID 97303838
1-methoxy-2-methylcyclopropan-1-ol
CID 12590266
trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol
CID 102096583
(3-hydroxy-2-methoxy-3,4,4,5-tetramethyl-2-oxo-1,2λ5-oxaphospholan-5-yl)phosphonic acid
CID 21394099
[(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol
CID 138632639
methyl 3,4-dimethyloxolane-3-carboxylate
CID 132519083
(3S)-2-ethyl-3,5,5-trimethyl-2-oxo-1,2λ5-oxaphospholan-3-ol
CID 23620614
(2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol
CID 23420977
2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 14759819
2-methylcyclopropane-1,1-diol
CID 68932442

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol?
The IUPAC name of (2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol (CID 13309995) is (2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol.
What is the SMILES notation for (2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol?
The canonical SMILES for (2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol is CO[P@@]1(=O)OC[C@@H](C)[C@@]1(C)O.
What is the InChIKey of (2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol?
The InChIKey is JSEUGISGCSTXLN-LJNABYEQSA-N. The full InChI is InChI=1S/C6H13O4P/c1-5-4-10-11(8,9-3)6(5,2)7/h5,7H,4H2,1-3H3/t5-,6+,11-/m1/s1.
What are the key properties of (2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol?
(2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol has a molecular weight of 180.14 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol is sourced from PubChem (CID 13309995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).