Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C8H11N.C3H7O4P.H2O |
| Molecular Weight | 277.254 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.C[C@@H]1O[C@@H]1P(O)(O)=O.C[C@@H](N)C2=CC=CC=C2
InChI
InChIKey=XDXCFDPDYZSCAG-YTBDAQBXSA-N
InChI=1S/C8H11N.C3H7O4P.H2O/c1-7(9)8-5-3-2-4-6-8;1-2-3(7-2)8(4,5)6;/h2-7H,9H2,1H3;2-3H,1H3,(H2,4,5,6);1H2/t7-;2-,3+;/m10./s1
| Molecular Formula | C8H11N |
| Molecular Weight | 121.1796 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
| Molecular Formula | C3H7O4P |
| Molecular Weight | 138.059 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 07:42:55 UTC 2023
by
admin
on
Sat Dec 16 07:42:55 UTC 2023
|
| Record UNII |
6226IMZ7MC
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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91617671
Created by
admin on Sat Dec 16 07:42:56 UTC 2023 , Edited by admin on Sat Dec 16 07:42:56 UTC 2023
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PRIMARY | |||
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65794-75-4
Created by
admin on Sat Dec 16 07:42:56 UTC 2023 , Edited by admin on Sat Dec 16 07:42:56 UTC 2023
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PRIMARY | |||
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6226IMZ7MC
Created by
admin on Sat Dec 16 07:42:56 UTC 2023 , Edited by admin on Sat Dec 16 07:42:56 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
