D-P-Methyl sulfone phenyl ethyl serinate

C₁₂H₁₇NO₅SCAS 36983-12-7287.33 g/mol

Open in Covalent MOL file

Alcohol Ester Primary amine Sulfone

Properties

Molecular formula: C₁₂H₁₇NO₅S
Molar mass: 287.33 g/mol
Exact mass: 287.0827 Da
logP: 0.01Crippen estimate
Polar surface area: 106.7 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 5
Stereocentres: R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

36983-12-7

SMILES

CCOC(=O)[C@@H]([C@H](C1=CC=C(C=C1)S(=O)(=O)C)O)N

InChIKey

CEEHCOWSYFANRT-MNOVXSKESA-N

InChI

InChI=1S/C12H17NO5S/c1-3-18-12(15)10(13)11(14)8-4-6-9(7-5-8)19(2,16)17/h4-7,10-11,14H,3,13H2,1-2H3/t10-,11+/m1/s1

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Names and synonyms

1 names

(2R,3S)-Ethyl 2-amino-3-hydroxy-3-(4-(methylsulfonyl)phenyl)propanoate

Work with D-P-Methyl sulfone phenyl ethyl serinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thiamphenicol aminoacetate hydrochloride2611-61-242 % similar (-)-Ethyl mandelate10606-72-141 % similar L-(+)-Mandelic acid ethyl ester13704-09-141 % similar (±)-Ethyl mandelate4358-88-741 % similar (±)-Ethyl mandelate774-40-341 % similar Thiamphenicol15318-45-341 % similar Florfenicol73231-34-240 % similar Florfenicol76639-94-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl tosyloxycarbamate105838-14-0

Elsewhere

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