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106946-74-1

106946-74-1 | Boc-isoleucinol

CAS No: 106946-74-1 Catalog No: AG003SSO MDL No:MFCD00235929

Product Description

Catalog Number:
AG003SSO
Chemical Name:
Boc-isoleucinol
CAS Number:
106946-74-1
Molecular Formula:
C11H23NO3
Molecular Weight:
217.3052
MDL Number:
MFCD00235929
IUPAC Name:
tert-butyl N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]carbamate
InChI:
InChI=1S/C11H23NO3/c1-6-8(2)9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t8-,9+/m0/s1
InChI Key:
BPLDQMXXYMKQPW-DTWKUNHWSA-N
SMILES:
OC[C@H]([C@H](CC)C)NC(=O)OC(C)(C)C

Properties

Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
217.168g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.309g/mol
Monoisotopic Mass:
217.168g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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