Home Carbonyls (S)-ethyl 2-((tert-butoxycarbonyl)amino)-6-(dimethylhydrosulfinyl)-5-hydroxyhex-5-enoate

(S)-ethyl 2-((tert-butoxycarbonyl)amino)-6-(dimethylhydrosulfinyl)-5-hydroxyhex-5-enoate

CAS No.:
1416134-58-1
Catalog Number:
AG00IM45
Molecular Formula:
C15H27NO6S
Molecular Weight:
349.4430
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Product Description
Catalog Number:
AG00IM45
Chemical Name:
(S)-ethyl 2-((tert-butoxycarbonyl)amino)-6-(dimethylhydrosulfinyl)-5-hydroxyhex-5-enoate
CAS Number:
1416134-58-1
Molecular Formula:
C15H27NO6S
Molecular Weight:
349.4430
MDL Number:
MFCD30537227
InChI:
InChI=1S/C15H27NO6S/c1-7-21-13(18)12(16-14(19)22-15(2,3)4)9-8-11(17)10-23(5,6)20/h10,12H,7-9H2,1-6H3,(H-,16,17,19,20)/t12-/m0/s1
InChI Key:
GJEMACVDVHPUAX-LBPRGKRZSA-N
SMILES:
CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)CC/C(=C/[S+](=O)(C)C)/[O-]
Properties
Complexity:
489  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
1  
Exact Mass:
349.156g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
349.442g/mol
Monoisotopic Mass:
349.156g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties