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Home > Other Heterocycles > 84365-01-5
84365-01-5 | 1-[4-(dimethylarsanylsulfanylmethyl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-2-yl]pyrimidine-2,4-dione
CAS No: 84365-01-5 Catalog No: AG004T87 MDL No:
Product Description
Catalog Number:
AG004T87
Chemical Name:
1-[4-(dimethylarsanylsulfanylmethyl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-2-yl]pyrimidine-2,4-dione
CAS Number:
84365-01-5
Molecular Formula:
C14H21AsN2O5S
Molecular Weight:
404.3135
IUPAC Name:
1-[6-(dimethylarsanylsulfanylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C14H21AsN2O5S/c1-14(2)21-10-8(7-23-15(3)4)20-12(11(10)22-14)17-6-5-9(18)16-13(17)19/h5-6,8,10-12H,7H2,1-4H3,(H,16,18,19)
InChI Key:
GHFVKXZUYKICCL-UHFFFAOYSA-N
SMILES:
C[As](SCC1OC(C2C1OC(O2)(C)C)n1ccc(=O)[nH]c1=O)C
NSC Number:
319728
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.039g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.313g/mol
Monoisotopic Mass:
404.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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