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-HTGJBILCSA-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 14:22:43 GMT 2023
by
admin
on
Sat Dec 16 14:22:43 GMT 2023
|
Record UNII |
SV8O675RD5
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Common Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
6436748
Created by
admin on Sat Dec 16 14:22:43 GMT 2023 , Edited by admin on Sat Dec 16 14:22:43 GMT 2023
|
PRIMARY | |||
|
69685-46-7
Created by
admin on Sat Dec 16 14:22:43 GMT 2023 , Edited by admin on Sat Dec 16 14:22:43 GMT 2023
|
PRIMARY | |||
|
SV8O675RD5
Created by
admin on Sat Dec 16 14:22:43 GMT 2023 , Edited by admin on Sat Dec 16 14:22:43 GMT 2023
|
PRIMARY |