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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28N6O9
Molecular Weight 508.4818
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WYBUTOSINE

SMILES

COC(=O)N[C@@H](CCC1=C(C)N=C2N1C(=O)C3=C(N(C=N3)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)N2C)C(=O)OC

InChI

InChIKey=QAOHCFGKCWTBGC-QHOAOGIMSA-N
InChI=1S/C21H28N6O9/c1-9-11(6-5-10(19(32)34-3)24-21(33)35-4)27-17(31)13-16(25(2)20(27)23-9)26(8-22-13)18-15(30)14(29)12(7-28)36-18/h8,10,12,14-15,18,28-30H,5-7H2,1-4H3,(H,24,33)/t10-,12+,14+,15+,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H28N6O9
Molecular Weight 508.4818
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
5PCY5AS87Q
Record Status Validated (UNII)
Record Version