Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C62H85N12O15P.CN.Co |
| Molecular Weight | 1354.3341 |
| Optical Activity | UNSPECIFIED |
| Additional Stereochemistry | Yes |
| Defined Stereocenters | 13 / 14 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Octahedral trans |
SHOW SMILES / InChI
SMILES
[Co+3].[C-]#N.C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2[N-]C1=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)[C@@]6(C)CC(=O)O[C@@]46CCC(N)=O)C(C)(C)[C@@H]3CCC(N)=O)OP([O-])(=O)O[C@@H]7[C@@H](CO)O[C@@H]([C@@H]7O)N8C=NC9=C8C=C(C)C(C)=C9
InChI
InChIKey=OJSKLTTYSHGOIF-POORCIQWSA-L
InChI=1S/C62H87N12O15P.CN.Co/c1-29-20-37-38(21-30(29)2)74(28-69-37)56-51(83)52(39(27-75)86-56)89-90(84,85)88-31(3)26-68-47(81)17-18-58(8)36(22-45(66)79)55-61(11)59(9,24-46(67)80)35(13-15-43(64)77)50(73-61)33(5)54-60(10)25-48(82)87-62(60,19-16-44(65)78)41(71-54)23-40-57(6,7)34(12-14-42(63)76)49(70-40)32(4)53(58)72-55;1-2;/h20-21,23,28,31,34-36,39,51-52,55-56,75,83H,12-19,22,24-27H2,1-11H3,(H13,63,64,65,66,67,68,70,71,72,73,76,77,78,79,80,81,84,85);;/q;-1;+3/p-2/t31-,34-,35-,36+,39-,51-,52-,55?,56+,58-,59+,60-,61+,62+;;/m1../s1
| Molecular Formula | CHN |
| Molecular Weight | 27.0253 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C62H84N12O15P |
| Molecular Weight | 1268.3755 |
| Charge | -3 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 13 / 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:21:10 GMT 2023
by
admin
on
Sat Dec 16 11:21:10 GMT 2023
|
| Record UNII |
242U2IU17O
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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23208-66-4
Created by
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242U2IU17O
Created by
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123133558
Created by
admin on Sat Dec 16 11:21:10 GMT 2023 , Edited by admin on Sat Dec 16 11:21:10 GMT 2023
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| Related Record | Type | Details | ||
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PARENT -> IMPURITY |
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