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204255-06-1 | 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-
CAS No: 204255-06-1 Catalog No: AG0029D5 MDL No:
Product Description
Catalog Number:
AG0029D5
Chemical Name:
1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-
CAS Number:
204255-06-1
Molecular Formula:
C16H26N4O4
Molecular Weight:
338.4020
IUPAC Name:
ethyl (3R,4R,5S)-4-acetamido-5-azido-3-pentan-3-yloxycyclohexene-1-carboxylate
InChI:
InChI=1S/C16H26N4O4/c1-5-12(6-2)24-14-9-11(16(22)23-7-3)8-13(19-20-17)15(14)18-10(4)21/h9,12-15H,5-8H2,1-4H3,(H,18,21)/t13-,14+,15+/m0/s1
InChI Key:
MPTCBJSPQVJIPZ-RRFJBIMHSA-N
SMILES:
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H]([C@H](C1)N=[N+]=[N-])NC(=O)C
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
338.195g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.408g/mol
Monoisotopic Mass:
338.195g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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