Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C6H13NO6 |
| Molecular Weight | 195.1705 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 1 |
| Charge | 0 |
| Stereo Comments | MM2 minimum energy for E and Z isomers are -0.7561 and l5.1223 kcal/mol respectively |
SHOW SMILES / InChI
SMILES
OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)\C=N\O
InChI
InChIKey=FQDOAQMGAIINEJ-KRAGZCSLSA-N
InChI=1S/C6H13NO6/c8-2-4(10)6(12)5(11)3(9)1-7-13/h1,3-6,8-13H,2H2/b7-1+/t3-,4+,5+,6-/m0/s1
| Molecular Formula | C6H13NO6 |
| Molecular Weight | 195.1705 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 12:58:25 GMT 2023
by
admin
on
Sat Dec 16 12:58:25 GMT 2023
|
| Record UNII |
R3X9YSK2MY
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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21564
Created by
admin on Sat Dec 16 12:58:25 GMT 2023 , Edited by admin on Sat Dec 16 12:58:25 GMT 2023
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PRIMARY | |||
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9576139
Created by
admin on Sat Dec 16 12:58:25 GMT 2023 , Edited by admin on Sat Dec 16 12:58:25 GMT 2023
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PRIMARY | |||
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69685-47-8
Created by
admin on Sat Dec 16 12:58:25 GMT 2023 , Edited by admin on Sat Dec 16 12:58:25 GMT 2023
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PRIMARY | |||
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R3X9YSK2MY
Created by
admin on Sat Dec 16 12:58:25 GMT 2023 , Edited by admin on Sat Dec 16 12:58:25 GMT 2023
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PRIMARY | |||
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20275-00-7
Created by
admin on Sat Dec 16 12:58:25 GMT 2023 , Edited by admin on Sat Dec 16 12:58:25 GMT 2023
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NON-SPECIFIC STEREOCHEMISTRY |