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98760-08-8 | (2R,3S)-3-(Tert-Butoxycarbonyl)Amino-1,2-Epoxy-4-Phenylbutane
CAS No: 98760-08-8 Catalog No: AG0032C9 MDL No:MFCD00671705
Product Description
Catalog Number:
AG0032C9
Chemical Name:
(2R,3S)-3-(Tert-Butoxycarbonyl)Amino-1,2-Epoxy-4-Phenylbutane
CAS Number:
98760-08-8
Molecular Formula:
C15H21NO3
Molecular Weight:
263.3321
MDL Number:
MFCD00671705
IUPAC Name:
tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate
InChI:
InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)/t12-,13-/m0/s1
InChI Key:
NVPOUMXZERMIJK-STQMWFEESA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]([C@H]1OC1)Cc1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
263.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.337g/mol
Monoisotopic Mass:
263.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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