(1R,2S,3S,4R,5S)-1-(acetoxymethyl)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triyltriacetate
기본 정보
- CAS
1298086-18-6- 표준 SMILES
CCOc1ccc(Cc2cc([C@]34OC[C@](COC(C)=O)(O3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)ccc2Cl)cc1- InChIKey
LFZVLROKLDGLRV-VTMVYQAFNA-N- 분자식
- C30H33ClO11
- 평균 분자량
- 605.03 g/mol
이름 및 식별자
- 우선 이름
- (1R,2S,3S,4R,5S)-1-(acetoxymethyl)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triyltriacetate
- 영어명
- (1R,2S,3S,4R,5S)-1-(acetoxymethyl)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triyltriacetate
- 분자식
- C30H33ClO11
- 분자량
- 605.03
이름 및 동의어
EOS-60361PF-05029508Ertugliflozin Impuity 4Ertugliflozin Impurity 4Ertugliflozin Impurity 37Tetra Acetyl ertugliflozinErtugliflozin Tetraacetate(1R,2S,3S,4R,5S)-1-(acetoxymethyl)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6,8-dioxabicyclo[3.2.1]octaβ-L-Idopyranose, 5-C-[(acetyloxy)methyl]-1,6-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, 2,3,4-triacetate5-C-[(Acetyloxy)methyl]-1,6-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-beta-L-idopyranose 2,3,4-triacetate
데이터베이스 식별자
- CAS
1298086-18-6
물성
물리화학적 성질
- 끓는 점
- 633.3 · 633.3±55.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- InChIKey
- LFZVLROKLDGLRV-VTMVYQAFNA-N
- SMILES
- [C@]12(COC(C)=O)O[C@](C3=CC=C(Cl)C(CC4=CC=C(OCC)C=C4)=C3)(OC1)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]2OC(=O)C |&1:0,7,27,32,37,r|
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