methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate

C15H23O6P — CID 101491715

IUPACmethyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate
SMILESCCOP(=O)(C[C@H](C(=O)OC)[C@H](O)c1ccccc1)OCC
InChIInChI=1S/C15H23O6P/c1-4-20-22(18,21-5-2)11-13(15(17)19-3)14(16)12-9-7-6-8-10-12/h6-10,13-14,16H,4-5,11H2,1-3H3/t13-,14+/m0/s1
InChIKeyRJGDWECHSRXAQR-UONOGXRCSA-N
MW330.32 g/mol
LogP2.78
Rot. Bonds9

About methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate

methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate (PubChem CID 101491715) has the molecular formula C15H23O6P and a molecular weight of 330.32 g/mol. Its IUPAC name is methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate
PubChem CID101491715
Molecular FormulaC15H23O6P
Molecular Weight330.32 g/mol
Exact Mass330.12
IUPAC Namemethyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate
SMILESCCOP(=O)(C[C@H](C(=O)OC)[C@H](O)c1ccccc1)OCC
InChIInChI=1S/C15H23O6P/c1-4-20-22(18,21-5-2)11-13(15(17)19-3)14(16)12-9-7-6-8-10-12/h6-10,13-14,16H,4-5,11H2,1-3H3/t13-,14+/m0/s1
InChIKeyRJGDWECHSRXAQR-UONOGXRCSA-N
XLogP2.78
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-diethoxyphosphoryl-3-phenylbutanoate
CID 50906118
(4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one
CID 15200859
methyl (2R)-5-bromo-2-[(R)-hydroxy(phenyl)methyl]pentanoate
CID 177493381
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
(3R,4R)-3-[di(propan-2-yloxy)phosphorylmethyl]-4-hydroxy-4-phenylbutan-2-one
CID 14785365
methyl (2S,3S)-2-[(benzylamino)methyl]-3-hydroxy-3-phenylpropanoate
CID 10086111
N-benzhydryl-1-diethoxyphosphorylpropan-2-amine
CID 10882944
ethyl (3S)-2-(benzamidomethyl)-3-hydroxy-3-phenylpropanoate
CID 102585176
(2-diethoxyphosphoryl-1-phenylethyl) benzoate
CID 56963886
(2S)-N,N'-bis(2-diethoxyphosphorylethyl)-1,2-diphenylethane-1,2-diamine
CID 58650642
2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide
CID 56955836
methyl 3-hydroxy-2-methylsulfonyl-3-phenylpropanoate
CID 175120502

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate?
The IUPAC name of methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate (CID 101491715) is methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate.
What is the SMILES notation for methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate?
The canonical SMILES for methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate is CCOP(=O)(C[C@H](C(=O)OC)[C@H](O)c1ccccc1)OCC.
What is the InChIKey of methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate?
The InChIKey is RJGDWECHSRXAQR-UONOGXRCSA-N. The full InChI is InChI=1S/C15H23O6P/c1-4-20-22(18,21-5-2)11-13(15(17)19-3)14(16)12-9-7-6-8-10-12/h6-10,13-14,16H,4-5,11H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate?
methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate has a molecular weight of 330.32 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-(diethoxyphosphorylmethyl)-3-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 101491715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).