Home Sulfos (6AS,9aR)-tert-butyl 2-(methylsulfonyl)-6a,7,9,9a-tetrahydropyrrolo[3',4':5,6]thiopyrano[4,3-d]pyrimidine-8(5H)-carboxylate 6,6-dioxide

(6AS,9aR)-tert-butyl 2-(methylsulfonyl)-6a,7,9,9a-tetrahydropyrrolo[3',4':5,6]thiopyrano[4,3-d]pyrimidine-8(5H)-carboxylate 6,6-dioxide

CAS No.:
1422344-34-0
Catalog Number:
AG00HWF2
Molecular Formula:
C15H21N3O6S2
Molecular Weight:
403.4737
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Product Description
Catalog Number:
AG00HWF2
Chemical Name:
(6AS,9aR)-tert-butyl 2-(methylsulfonyl)-6a,7,9,9a-tetrahydropyrrolo[3',4':5,6]thiopyrano[4,3-d]pyrimidine-8(5H)-carboxylate 6,6-dioxide
CAS Number:
1422344-34-0
Molecular Formula:
C15H21N3O6S2
Molecular Weight:
403.4737
MDL Number:
MFCD28978769
IUPAC Name:
tert-butyl (2R,6S)-12-methylsulfonyl-7,7-dioxo-7λ6-thia-4,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene-4-carboxylate
InChI:
InChI=1S/C15H21N3O6S2/c1-15(2,3)24-14(19)18-6-10-11(7-18)26(22,23)8-9-5-16-13(17-12(9)10)25(4,20)21/h5,10-11H,6-8H2,1-4H3/t10-,11+/m0/s1
InChI Key:
LNSGBESKLLKVQD-WDEREUQCSA-N
SMILES:
O=C(N1C[C@H]2[C@@H](C1)S(=O)(=O)Cc1c2nc(nc1)S(=O)(=O)C)OC(C)(C)C
Properties
Complexity:
778  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
403.087g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.468g/mol
Monoisotopic Mass:
403.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties