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137718-15-1 | FOY 129 (9CI)
CAS No: 137718-15-1 Catalog No: AG0013R7 MDL No:
Product Description
Catalog Number:
AG0013R7
Chemical Name:
FOY 129 (9CI)
CAS Number:
137718-15-1
Molecular Formula:
C10H23N4O7PS
Molecular Weight:
374.3510
IUPAC Name:
6-(diaminomethylideneamino)-4-(ethoxycarbamoylsulfanyl)hexanoate;phosphoric acid
InChI:
InChI=1S/C10H20N4O4S.H3O4P/c1-2-18-14-10(17)19-7(3-4-8(15)16)5-6-13-9(11)12;1-5(2,3)4/h7H,2-6H2,1H3,(H,14,17)(H,15,16)(H4,11,12,13);(H3,1,2,3,4)/p-1
InChI Key:
IELFKSRSUYKYJP-UHFFFAOYSA-M
SMILES:
OP(=O)O.CCONC(=O)SC(CCC(=O)O)CCNC(=N)N
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.09g/mol
Formal Charge:
-1
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
389.34g/mol
Monoisotopic Mass:
389.09g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
246A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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