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149451-80-9 | Carbamic acid, N-[(1S,2S)-2,3-dihydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
CAS No: 149451-80-9 Catalog No: AG001LPA MDL No:
Product Description
Catalog Number:
AG001LPA
Chemical Name:
Carbamic acid, N-[(1S,2S)-2,3-dihydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
CAS Number:
149451-80-9
Molecular Formula:
C15H23NO4
Molecular Weight:
281.3474
IUPAC Name:
tert-butyl N-(3,4-dihydroxy-1-phenylbutan-2-yl)carbamate
InChI:
InChI=1S/C15H23NO4/c1-15(2,3)20-14(19)16-12(13(18)10-17)9-11-7-5-4-6-8-11/h4-8,12-13,17-18H,9-10H2,1-3H3,(H,16,19)
InChI Key:
SIFKOOILPFBRCJ-UHFFFAOYSA-N
SMILES:
OC[C@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.352g/mol
Monoisotopic Mass:
281.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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