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102516-61-0 | L-Cysteine, (3-amino-4-hydroxyphenyl)phenylarsinite (ester) (9CI)
CAS No: 102516-61-0 Catalog No: AG0007MU MDL No:
Product Description
Catalog Number:
AG0007MU
Chemical Name:
L-Cysteine, (3-amino-4-hydroxyphenyl)phenylarsinite (ester) (9CI)
CAS Number:
102516-61-0
Molecular Formula:
C15H17AsN2O3S
Molecular Weight:
380.2937
IUPAC Name:
2-amino-3-[(3-amino-4-hydroxyphenyl)-phenylarsanyl]sulfanylpropanoic acid
InChI:
InChI=1S/C15H17AsN2O3S/c17-12-8-11(6-7-14(12)19)16(10-4-2-1-3-5-10)22-9-13(18)15(20)21/h1-8,13,19H,9,17-18H2,(H,20,21)
InChI Key:
DHFDPQDRNFBLLN-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)O)CS[As](c1ccc(c(c1)N)O)c1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.018g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
380.294g/mol
Monoisotopic Mass:
380.018g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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