Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H31N9O15P2.2Na |
| Molecular Weight | 829.5134 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N4C=NC5=C(N)N=CN=C45)C6=NC(=O)NC(=O)C6=NC2=C1
InChI
InChIKey=XLRHXNIVIZZOON-WFUPGROFSA-L
InChI=1S/C27H33N9O15P2.2Na/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36;;/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43);;/q;2*+1/p-2/t14-,15+,16+,19-,20+,21+,26+;;/m0../s1
| Molecular Formula | C27H31N9O15P2 |
| Molecular Weight | 783.5339 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| 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 09:30:19 UTC 2023
by
admin
on
Sat Dec 16 09:30:19 UTC 2023
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| Record UNII |
67U7UHJ04C
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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DTXSID0046723
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100000078480
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67U7UHJ04C
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DBSALT000903
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84366-81-4
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2734019
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SUB13893MIG
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |