Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H36N4O8.H2O |
Molecular Weight | 490.5478 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC)[C@H](O)COC(=O)CCCCCCC
InChI
InChIKey=IBFFAVWCRFPPNZ-QZAMVOJNSA-N
InChI=1S/C21H36N4O8.H2O/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30;/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25);1H2/t13-,14+,17+,18+,19+;/m0./s1
Molecular Formula | C21H36N4O8 |
Molecular Weight | 472.5325 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
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 07:38:48 UTC 2023
by
admin
on
Sat Dec 16 07:38:48 UTC 2023
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Record UNII |
MCG28BI87W
|
Record Status |
Validated (UNII)
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Record Version |
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-
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4822
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SUB181431
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MCG28BI87W
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371755-92-9
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NON-SPECIFIC STOICHIOMETRY | |||
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m6676
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46919879
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1233643-88-3
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100000167046
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admin on Sat Dec 16 07:38:48 UTC 2023 , Edited by admin on Sat Dec 16 07:38:48 UTC 2023
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DTXSID70153991
Created by
admin on Sat Dec 16 07:38:48 UTC 2023 , Edited by admin on Sat Dec 16 07:38:48 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |