Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H12N3O14P3.2Na.2H.2H2O |
| Molecular Weight | 563.1505 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H+].O.O.[Na+].[Na+].NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O
InChI
InChIKey=KNSYTSUGTLJHPS-ODQFIEKDSA-L
InChI=1S/C9H16N3O14P3.2Na.2H2O/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18);;;2*1H2/q;2*+1;;/p-2/t4-,6-,7-,8-;;;;/m1..../s1
| 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 |
| Molecular Formula | C9H12N3O14P3 |
| Molecular Weight | 479.1246 |
| Charge | -4 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H |
| Molecular Weight | 1.0079 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 10:44:15 UTC 2023
by
admin
on
Sat Dec 16 10:44:15 UTC 2023
|
| Record UNII |
257277ZO3K
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Name | Type | Language | ||
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| Code System | Code | Type | Description | ||
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257277ZO3K
Created by
admin on Sat Dec 16 10:44:15 UTC 2023 , Edited by admin on Sat Dec 16 10:44:15 UTC 2023
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PRIMARY | |||
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2724340
Created by
admin on Sat Dec 16 10:44:15 UTC 2023 , Edited by admin on Sat Dec 16 10:44:15 UTC 2023
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81012-87-5
Created by
admin on Sat Dec 16 10:44:15 UTC 2023 , Edited by admin on Sat Dec 16 10:44:15 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
