Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C13H15N4O12P.2Ba |
Molecular Weight | 724.906 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ba++].[Ba++].NC1=C(N=CN1[C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)C(=O)N[C@@H](CC([O-])=O)C([O-])=O
InChI
InChIKey=PPKOPCLLXBFYGS-KGBHUAOWSA-J
InChI=1S/C13H19N4O12P.2Ba/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27;;/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27);;/q;2*+2/p-4/t4-,5+,8+,9+,12+;;/m0../s1
Approval Year
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Code System | Code | Type | Description | ||
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6057-44-9
Created by
admin on Sat Dec 16 14:46:38 GMT 2023 , Edited by admin on Sat Dec 16 14:46:38 GMT 2023
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m9724
Created by
admin on Sat Dec 16 14:46:38 GMT 2023 , Edited by admin on Sat Dec 16 14:46:38 GMT 2023
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I541M0LM1M
Created by
admin on Sat Dec 16 14:46:38 GMT 2023 , Edited by admin on Sat Dec 16 14:46:38 GMT 2023
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PRIMARY | |||
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133082382
Created by
admin on Sat Dec 16 14:46:38 GMT 2023 , Edited by admin on Sat Dec 16 14:46:38 GMT 2023
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PRIMARY | |||
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DTXSID80858400
Created by
admin on Sat Dec 16 14:46:38 GMT 2023 , Edited by admin on Sat Dec 16 14:46:38 GMT 2023
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PRIMARY |
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD