# Tri-GalNAc(OAc)3 TFA

**CAS:** 1159408-65-7  
**PubChem CID:** [162394061](https://pubchem.ncbi.nlm.nih.gov/compound/162394061)  
**Molecular formula:** C81H129F3N10O38  
**Molar mass:** 1907.9 g/mol  
**IUPAC:** [(2R,3R,4R,5R,6R)-5-acetamido-6-[5-[3-[3-[3-[3-[3-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-aminopropoxy]propanoylamino]propylamino]-5-oxopentoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate;2,2,2-trifluoroacetic acid  
**SMILES:** `CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)(COCCC(=O)NCCCNC(=O)CCCCO[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)N)COC(=O)C)OC(=O)C)OC(=O)C.C(=O)(C(F)(F)F)O`  
**InChIKey:** `ZQQFLUVDYMPTBZ-QBHSIBJISA-N`  
**InChI:** `InChI=1S/C79H128N10O36.C2HF3O2/c1-46(90)87-67-73(120-55(10)99)70(117-52(7)96)58(40-114-49(4)93)123-76(67)111-34-16-13-22-61(102)81-28-19-31-84-64(105)25-37-108-43-79(80,44-109-38-26-65(106)85-32-20-29-82-62(103)23-14-17-35-112-77-68(88-47(2)91)74(121-56(11)100)71(118-53(8)97)59(124-77)41-115-50(5)94)45-110-39-27-66(107)86-33-21-30-83-63(104)24-15-18-36-113-78-69(89-48(3)92)75(122-57(12)101)72(119-54(9)98)60(125-78)42-116-51(6)95;3-2(4,5)1(6)7/h58-60,67-78H,13-45,80H2,1-12H3,(H,81,102)(H,82,103)(H,83,104)(H,84,105)(H,85,106)(H,86,107)(H,87,90)(H,88,91)(H,89,92);(H,6,7)/t58-,59-,60-,67-,68-,69-,70+,71+,72+,73-,74-,75-,76-,77-,78-;/m1./s1`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 645 Ų |
| Hydrogen bond donors | 11 |
| Hydrogen bond acceptors | 42 |
| Rotatable bonds | 69 |
| Heavy atoms | 132 |

## 3D structure

The molecule contains 261 atoms connected by 262 chemical bonds. Interactive 3D model available at: https://molgod.org/molecule/1159408-65-7/

## Synonyms

- Tri-GalNAc(OAc)3 TFA
- 1159408-65-7
- Tri-GalNAc(OAc)3 (TFA)
- orb2279003
- EX-A7801G
- C81H129F3N10O38
- MFCD34596870
- HY-148118A
- AS-97554
- SY382177

## Data sources

- [PubChem CID 162394061](https://pubchem.ncbi.nlm.nih.gov/compound/162394061)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=1159408-65-7)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=1159408-65-7)

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*Last updated: 2026-10-17 · Generator: MOL-GOD v3.12.33*