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123529-65-7 | L-Valine, 3,3'-[(dimethylstannylene)bis(thio)]bis- (9CI)
CAS No: 123529-65-7 Catalog No: AG000KQ7 MDL No:
Product Description
Catalog Number:
AG000KQ7
Chemical Name:
L-Valine, 3,3'-[(dimethylstannylene)bis(thio)]bis- (9CI)
CAS Number:
123529-65-7
Molecular Formula:
C12H26N2O4S2Sn
Molecular Weight:
445.1768
IUPAC Name:
2-amino-3-[(1-amino-1-carboxy-2-methylpropan-2-yl)sulfanyl-dimethylstannyl]sulfanyl-3-methylbutanoic acid
InChI:
InChI=1S/2C5H11NO2S.2CH3.Sn/c2*1-5(2,9)3(6)4(7)8;;;/h2*3,9H,6H2,1-2H3,(H,7,8);2*1H3;/q;;;;+2/p-2
InChI Key:
HUTQCHMSXGUJOH-UHFFFAOYSA-L
SMILES:
N[C@@H](C(S[Sn](SC([C@@H](C(=O)O)N)(C)C)(C)C)(C)C)C(=O)O
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.036g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
445.18g/mol
Monoisotopic Mass:
446.036g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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