CAS 112741-50-1|CAS 112741-49-8|tert-butyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate|tert-butyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate|N-Boc-(2S,3R)-(+)-6-oxo-2,3-diphenyl-4-mor...

General Information

Structure

Molecular Formula

C₂₁H₂₃NO₄

Molecular Mass

353.41162

Exact Mass

353.16270822

Charge

InChI

InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-14-17(23)25-19(16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,18-19H,14H2,1-3H3/t18-,19+/m1/s1

InChIKey

MRUKRSQUUNYOFK-MOPGFXCFSA-N

Canonic Smiles

O=C1CN(C(=O)OC(C)(C)C)[C@@H]([C@@H](O1)c1ccccc1)c1ccccc1

Isomeric Smiles

N1([C@@H]([C@@H](OC(=O)C1)c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.1111474

LogD (pH = 7.4)

4.1111474

Log P

4.1111474

Molar Refractivity

97.1388

Polarizability

38.424725

Polar Surface Area

55.84

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

tert-butyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate

IUPAC Traditional name

tert-butyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate

Synonyms

N-Boc-(2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylatetert-Butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate(2S,3R)-(+)-6-氧代-2,3-二苯基-4-吗啉羧酸叔丁酯(2S,3R)-tert-Butyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate(2S,3R)-(+)-N-Boc-6-oxo-2,3-diphenylmorpholine(2S,3R)-(+)-N-Boc-6-氧代-2,3-二苯基吗啉(2R,3S)-(-)-4-Boc-6-oxo-2,3-diphenylmorpholine(5R,6S)-(-)-4-Boc-5,6-diphenyl-2-morpholinonetert-Butyl (2R,3S)-(-)-6-oxo-2,3-diphenylmorpholine-4-carboxylate

Names and Identifiers

Registration numbers

CAS Number

112741-50-1112741-49-8

PubChem SID

24860000162033012

MDL Number

MFCD00074953MFCD00074955

PubChem CID

981225

Registration numbers

Properties