Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C13H22N4O7.C2HF3O2 |
Molecular Weight | 460.3597 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC)[C@H](O)CO
InChI
InChIKey=DAGFMLSFZMOWFA-WWIZLJSCSA-N
InChI=1S/C13H22N4O7.C2HF3O2/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18;3-2(4,5)1(6)7/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17);(H,6,7)/t6-,7+,9+,10+,11+;/m0./s1
Molecular Formula | C13H22N4O7 |
Molecular Weight | 346.3364 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C2HF3O2 |
Molecular Weight | 114.0233 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:43:21 GMT 2023
by
admin
on
Sat Dec 16 08:43:21 GMT 2023
|
Record UNII |
J516WFO3MJ
|
Record Status |
Validated (UNII)
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Record Version |
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-
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203120-18-7
Created by
admin on Sat Dec 16 08:43:22 GMT 2023 , Edited by admin on Sat Dec 16 08:43:22 GMT 2023
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J516WFO3MJ
Created by
admin on Sat Dec 16 08:43:22 GMT 2023 , Edited by admin on Sat Dec 16 08:43:22 GMT 2023
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11753979
Created by
admin on Sat Dec 16 08:43:22 GMT 2023 , Edited by admin on Sat Dec 16 08:43:22 GMT 2023
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m6676
Created by
admin on Sat Dec 16 08:43:22 GMT 2023 , Edited by admin on Sat Dec 16 08:43:22 GMT 2023
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PRIMARY | Merck Index |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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