Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H29O8P.2Na |
| Molecular Weight | 498.4142 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[H][C@@]12CC[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])C[C@H](C)C4=CC(=O)C=C[C@]34C
InChI
InChIKey=FVKLXKOXTMCACB-VJWYNRERSA-L
InChI=1S/C22H31O8P.2Na/c1-12-8-14-15-5-7-22(26,18(25)11-30-31(27,28)29)21(15,3)10-17(24)19(14)20(2)6-4-13(23)9-16(12)20;;/h4,6,9,12,14-15,17,19,24,26H,5,7-8,10-11H2,1-3H3,(H2,27,28,29);;/q;2*+1/p-2/t12-,14-,15-,17-,19+,20-,21-,22-;;/m0../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 | C22H29O8P |
| Molecular Weight | 452.4346 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 14:58:26 UTC 2023
by
admin
on
Fri Dec 15 14:58:26 UTC 2023
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| Record UNII |
6089CVN95V
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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100000091399
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29917
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21115
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SUB25642
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C166880
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5015-36-1
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225-694-4
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DTXSID30198222
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6089CVN95V
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C015360
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CHEMBL2111028
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |