ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate

C11H15O6P — CID 71159094

IUPACethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate
SMILESCCOC(=O)[C@H](C)OP(=O)(O)Oc1ccccc1
InChIInChI=1S/C11H15O6P/c1-3-15-11(12)9(2)16-18(13,14)17-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyDWFBQSAKVGJVQD-VIFPVBQESA-N
MW274.21 g/mol
LogP2.13
Rot. Bonds6

About ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate

ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate (PubChem CID 71159094) has the molecular formula C11H15O6P and a molecular weight of 274.21 g/mol. Its IUPAC name is ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate
PubChem CID71159094
Molecular FormulaC11H15O6P
Molecular Weight274.21 g/mol
Exact Mass274.06
IUPAC Nameethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate
SMILESCCOC(=O)[C@H](C)OP(=O)(O)Oc1ccccc1
InChIInChI=1S/C11H15O6P/c1-3-15-11(12)9(2)16-18(13,14)17-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyDWFBQSAKVGJVQD-VIFPVBQESA-N
XLogP2.13
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-[2-hydroxyethyl(phenoxy)phosphoryl]oxypropanoate
CID 58929000
ethyl (2R)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate
CID 91195065
ethyl (2S)-2-[(4-aminophenyl)methyl-phenoxyphosphoryl]oxypropanoate
CID 59132351
pentan-3-yl phenyl hydrogen phosphate
CID 175461995
N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid
CID 141478072
ethyl (2R)-2-diphenoxyphosphoryloxy-2-phenylacetate
CID 134943975
ethyl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate
CID 134165823
2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate
CID 67577660
ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate
CID 122527443
ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 134359855
diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate?
The IUPAC name of ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate (CID 71159094) is ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate.
What is the SMILES notation for ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate?
The canonical SMILES for ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate is CCOC(=O)[C@H](C)OP(=O)(O)Oc1ccccc1.
What is the InChIKey of ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate?
The InChIKey is DWFBQSAKVGJVQD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15O6P/c1-3-15-11(12)9(2)16-18(13,14)17-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate?
ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate has a molecular weight of 274.21 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate is sourced from PubChem (CID 71159094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).