메틸2,3,6-TRI-O-BENZOYL-4-O-TRIFLUOROMETHANESULFONONYL-AD-GALACTOPYRANOSIDE
메틸2,3,6-TRI-O-BENZOYL-4-O-TRIFLUOROMETHANESULFONONYL-AD-GALACTOPYRANOSIDE · methyl 2,3,6-tri-O-benzoyl-4-O-trifluoromethansulfonyl-α-D-galactopyranoside · Methyl2,3,6-tri-O-benzoyl-4-O-trifluoromethanesulfonyl-a-D-galactopyranoside · METHYL 2,3,6-TRI-O-BENZOYL-4-O-TRIFLUOROMETHANESULFONONYL-A-D-GALACTOPYRANOSIDE · Methyl 2,3,6-Tri-O-benzoyl-4-O-trifluoromethanesulfononyl -α-D-galactopyranoside · METHYL-2,3,6-TRI-O-BENZOYL-4-O-TRIFLUOROMETHANSULFONYL-ALPHA-D-GALACTOPYRANOSIDE · Methyl 2,3,6-tri-O-benzoyl-4-O-trifluoromethanesulfonyl-alpha-D-galactopyranoside · METHYL 2,3,6-TRI-O-BENZOYL-4-O-TRIFLUOROMETHANESULFONONYL-ALPHA-D-GALACTOPYRANOSIDE
식별자 및 물리적 특성
| CAS No. | 79580-70-4 |
|---|---|
| 분자식 | C29H25F3O11S |
| 평균 분자량 | 638.6 g/mol |
| 단동위원소 질량 | 638.10696727 g/mol |
| SMILES | CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OS(=O)(=O)C(F)(F)F)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |
| InChIKey | WEFZNIIQVROKGK-SUWSLWCISA-N |
| PubChem CID | 11181237 |
| DTXSID | DTXSID80457831 |
| 현지명 | 메틸2,3,6-TRI-O-BENZOYL-4-O-TRIFLUOROMETHANESULFONONYL-AD-GALACTOPYRANOSIDE |
화학 및 물리적 성질
| XLogP | 5.4 |
|---|---|
| 극성 표면적 | 149 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 14 |
| 회전 가능 결합 수 | 13 |
| 무거운 원자 수 | 44 |
| 형식 전하 | 0 |
| 복잡도 | 1,080 |
| 녹는점 | 137-139°C |
| 끓는 점 | 671.8±55.0 °C(Predicted) |
| 밀도 | 1.47±0.1 g/cm3(Predicted) |
| 용해도 | soluble in Chloroform, Dichloromethane, Ethyl Acetate, Methanol, |
| 물리적 상태 | 고체 |
| 색상 | 백색 결정체 |
화학적 성질
White Crystalline Solid
용도
용도
Methyl 2,3,6-Tri-O-benzoyl-4-O-trifluoromethanesulfononyl -α-D-galactopyranoside can be used as inhibitors of cellulases.