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824429-42-7 | L-Aspartic acid, N-[(3-iodopropyl)sulfonyl]-, diethyl ester
CAS No: 824429-42-7 Catalog No: AG004W01 MDL No:
Product Description
Catalog Number:
AG004W01
Chemical Name:
L-Aspartic acid, N-[(3-iodopropyl)sulfonyl]-, diethyl ester
CAS Number:
824429-42-7
Molecular Formula:
C11H20INO6S
Molecular Weight:
421.2491
IUPAC Name:
diethyl (2S)-2-(3-iodopropylsulfonylamino)butanedioate
InChI:
InChI=1S/C11H20INO6S/c1-3-18-10(14)8-9(11(15)19-4-2)13-20(16,17)7-5-6-12/h9,13H,3-8H2,1-2H3/t9-/m0/s1
InChI Key:
NHJZNEZJZWVBHI-VIFPVBQESA-N
SMILES:
ICCCS(=O)(=O)N[C@H](C(=O)OCC)CC(=O)OCC
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
421.006g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.246g/mol
Monoisotopic Mass:
421.006g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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