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Details

Stereochemistry ABSOLUTE
Molecular Formula 3C6H13N.C3H7O7P
Molecular Weight 483.5796
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRI(CYCLOHEXYLAMMONIUM) 3-PHOSPHOGLYCERATE, (R)-

SMILES

NC1CCCCC1.NC2CCCCC2.NC3CCCCC3.O[C@H](COP(O)(O)=O)C(O)=O

InChI

InChIKey=AXKYAHAORBUSOH-JUAFYAHFSA-N
InChI=1S/3C6H13N.C3H7O7P/c3*7-6-4-2-1-3-5-6;4-2(3(5)6)1-10-11(7,8)9/h3*6H,1-5,7H2;2,4H,1H2,(H,5,6)(H2,7,8,9)/t;;;2-/m...1/s1

HIDE SMILES / InChI

Molecular Formula C6H13N
Molecular Weight 99.1741
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C3H7O7P
Molecular Weight 186.0572
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:35:34 GMT 2023
Edited
by admin
on Fri Dec 15 15:35:34 GMT 2023
Record UNII
P52FC6I1GS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRI(CYCLOHEXYLAMMONIUM) 3-PHOSPHOGLYCERATE, (R)-
Systematic Name English
PROPANOIC ACID, 2-HYDROXY-3-(PHOSPHONOOXY)-, (2R)-, COMPD. WITH CYCLOHEXANAMINE (1:3)
Systematic Name English
Code System Code Type Description
PUBCHEM
134160114
Created by admin on Fri Dec 15 15:35:34 GMT 2023 , Edited by admin on Fri Dec 15 15:35:34 GMT 2023
PRIMARY
CAS
108321-47-7
Created by admin on Fri Dec 15 15:35:34 GMT 2023 , Edited by admin on Fri Dec 15 15:35:34 GMT 2023
PRIMARY
FDA UNII
P52FC6I1GS
Created by admin on Fri Dec 15 15:35:34 GMT 2023 , Edited by admin on Fri Dec 15 15:35:34 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE