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143700-05-4 | 1-Pyrrolidinecarboxylic acid, 3-azido-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4R)-rel-
CAS No: 143700-05-4 Catalog No: AG001I83 MDL No:MFCD09800387
Product Description
Catalog Number:
AG001I83
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-azido-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4R)-rel-
CAS Number:
143700-05-4
Molecular Formula:
C9H16N4O3
Molecular Weight:
228.2483
MDL Number:
MFCD09800387
IUPAC Name:
tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H16N4O3/c1-9(2,3)16-8(15)13-4-6(11-12-10)7(14)5-13/h6-7,14H,4-5H2,1-3H3/t6-,7-/m0/s1
InChI Key:
CSWBTQKOSPXYIE-BQBZGAKWSA-N
SMILES:
[N-]=[N+]=N[C@@H]1CN(C[C@H]1O)C(=O)OC(C)(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
228.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.252g/mol
Monoisotopic Mass:
228.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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