(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane

C7H15O4P — CID 163038717

IUPAC(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane
SMILESCCOP(=O)(OCC)[C@@H]1O[C@@H]1C
InChIInChI=1S/C7H15O4P/c1-4-9-12(8,10-5-2)7-6(3)11-7/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyGNYJAXDLNDFBSU-RQJHMYQMSA-N
MW194.17 g/mol
LogP2.00
Rot. Bonds5

About (2S,3R)-2-diethoxyphosphoryl-3-methyloxirane

(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane (PubChem CID 163038717) has the molecular formula C7H15O4P and a molecular weight of 194.17 g/mol. Its IUPAC name is (2S,3R)-2-diethoxyphosphoryl-3-methyloxirane.

Molecular Properties

Compound Name(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane
PubChem CID163038717
Molecular FormulaC7H15O4P
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Name(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane
SMILESCCOP(=O)(OCC)[C@@H]1O[C@@H]1C
InChIInChI=1S/C7H15O4P/c1-4-9-12(8,10-5-2)7-6(3)11-7/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyGNYJAXDLNDFBSU-RQJHMYQMSA-N
XLogP2.00
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-diethoxyphosphoryl-3-(2-methylphenyl)oxirane
CID 101084245
(2S,3S)-2-diethoxyphosphoryl-3-(3-methylphenyl)oxirane
CID 101084246
(3-methyloxiran-2-yl)phosphonic acid
CID 3417
(4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide
CID 166437541
ethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane
CID 158595282
3-diethoxyphosphorylcyclobutan-1-amine
CID 10727016
(1S,2S,4R)-2-diethoxyphosphorylbicyclo[2.2.1]heptane
CID 51013263
2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane
CID 89042432
Phosphomycin calcium salt
CID 45055415
cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde
CID 125475013
(2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane
CID 145422347
4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane
CID 10491916

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-diethoxyphosphoryl-3-methyloxirane?
The IUPAC name of (2S,3R)-2-diethoxyphosphoryl-3-methyloxirane (CID 163038717) is (2S,3R)-2-diethoxyphosphoryl-3-methyloxirane.
What is the SMILES notation for (2S,3R)-2-diethoxyphosphoryl-3-methyloxirane?
The canonical SMILES for (2S,3R)-2-diethoxyphosphoryl-3-methyloxirane is CCOP(=O)(OCC)[C@@H]1O[C@@H]1C.
What is the InChIKey of (2S,3R)-2-diethoxyphosphoryl-3-methyloxirane?
The InChIKey is GNYJAXDLNDFBSU-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15O4P/c1-4-9-12(8,10-5-2)7-6(3)11-7/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1.
What are the key properties of (2S,3R)-2-diethoxyphosphoryl-3-methyloxirane?
(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane has a molecular weight of 194.17 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-diethoxyphosphoryl-3-methyloxirane is sourced from PubChem (CID 163038717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).