Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C62H88N13O14P.Co.HO.H2O4S |
| Molecular Weight | 1444.434 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 14 / 14 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[OH-].[Co+3].OS(O)(=O)=O.[H][C@]12[N-]C(=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C@]1(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)C(C)(C)[C@@H]3CCC(N)=O)[C@](C)(CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)N7C=NC8=C7C=C(C)C(C)=C8)[C@H]2CC(N)=O
InChI
InChIKey=ZPPQIOWUWXGJQB-BXSGNKEGSA-K
InChI=1S/C62H90N13O14P.Co.H2O4S.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;1-5(2,3)4;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;(H2,1,2,3,4);1H2/q;+3;;/p-3/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;;/m1.../s1
| Molecular Formula | HO |
| Molecular Weight | 17.0073 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C62H88N13O14P |
| Molecular Weight | 1270.4146 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 14 / 14 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Co |
| Molecular Weight | 58.9332 |
| Charge | 3 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H2O4S |
| Molecular Weight | 98.078 |
| 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 18:16:34 UTC 2023
by
admin
on
Sat Dec 16 18:16:34 UTC 2023
|
| Record UNII |
YQY2ZJ82BR
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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163203584
Created by
admin on Sat Dec 16 18:16:34 UTC 2023 , Edited by admin on Sat Dec 16 18:16:34 UTC 2023
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100000090083
Created by
admin on Sat Dec 16 18:16:34 UTC 2023 , Edited by admin on Sat Dec 16 18:16:34 UTC 2023
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167223-03-2
Created by
admin on Sat Dec 16 18:16:34 UTC 2023 , Edited by admin on Sat Dec 16 18:16:34 UTC 2023
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YQY2ZJ82BR
Created by
admin on Sat Dec 16 18:16:34 UTC 2023 , Edited by admin on Sat Dec 16 18:16:34 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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