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204254-98-8 | 1-Cyclohexene-1-carboxylic acid, 5-azido-3-(1-ethylpropoxy)-4-hydroxy-, ethyl ester, (3R,4S,5R)-
CAS No: 204254-98-8 Catalog No: AG0029D7 MDL No:
Product Description
Catalog Number:
AG0029D7
Chemical Name:
1-Cyclohexene-1-carboxylic acid, 5-azido-3-(1-ethylpropoxy)-4-hydroxy-, ethyl ester, (3R,4S,5R)-
CAS Number:
204254-98-8
Molecular Formula:
C14H23N3O4
Molecular Weight:
297.3501
IUPAC Name:
ethyl (3R,4S,5R)-5-azido-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate
InChI:
InChI=1S/C14H23N3O4/c1-4-10(5-2)21-12-8-9(14(19)20-6-3)7-11(13(12)18)16-17-15/h8,10-13,18H,4-7H2,1-3H3/t11-,12-,13+/m1/s1
InChI Key:
ZVXCZNLVOFIJMG-UPJWGTAASA-N
SMILES:
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H]([C@@H](C1)N=[N+]=[N-])O
EC Number:
805-633-3
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
297.169g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.355g/mol
Monoisotopic Mass:
297.169g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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