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13073-22-8 | D-Homocysteine, S-butyl-
CAS No: 13073-22-8 Catalog No: AG000UVQ MDL No:
Product Description
Catalog Number:
AG000UVQ
Chemical Name:
D-Homocysteine, S-butyl-
CAS Number:
13073-22-8
Molecular Formula:
C8H17NO2S
Molecular Weight:
191.2911
IUPAC Name:
(2R)-2-amino-4-butylsulfanylbutanoic acid
InChI:
InChI=1S/C8H17NO2S/c1-2-3-5-12-6-4-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m1/s1
InChI Key:
LAXXPOJCFVMVAX-SSDOTTSWSA-N
SMILES:
CCCCSCC[C@H](C(=O)O)N
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
191.098g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.289g/mol
Monoisotopic Mass:
191.098g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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