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71811-27-3 | Z-Threoninol
CAS No: 71811-27-3 Catalog No: AG005FGL MDL No:MFCD00191158
Product Description
Catalog Number:
AG005FGL
Chemical Name:
Z-Threoninol
CAS Number:
71811-27-3
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
MDL Number:
MFCD00191158
IUPAC Name:
benzyl N-[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamate
InChI:
InChI=1S/C12H17NO4/c1-9(15)11(7-14)13-12(16)17-8-10-5-3-2-4-6-10/h2-6,9,11,14-15H,7-8H2,1H3,(H,13,16)/t9-,11-/m1/s1
InChI Key:
KHJJQBXHWBLXPU-MWLCHTKSSA-N
SMILES:
OC[C@H]([C@H](O)C)NC(=O)OCc1ccccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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