(2R,3R,4R,5R)-2-[(4-chlorobenzoyloxy)methyl]-4-fluoro-5-hydroxy-4-methyloxolan-3-yl 4-chlorobenzoate
기본 정보
- CAS
1294481-80-3- 표준 SMILES
C[C@]1(F)[C@H](O)O[C@H](COC(=O)c2ccc(Cl)cc2)[C@H]1OC(=O)c1ccc(Cl)cc1- InChIKey
VMHGRJLDOZXGNA-XNFNUYLZSA-N- 분자식
- C20H17Cl2FO6
- 평균 분자량
- 443.2 g/mol
- 단동위원소 질량
- 442.0386218
이름 및 식별자
- 우선 이름
- (2R,3R,4R,5R)-2-[(4-chlorobenzoyloxy)methyl]-4-fluoro-5-hydroxy-4-methyloxolan-3-yl 4-chlorobenzoate
- IUPAC
- [(2R,3R,4R,5R)-3-(4-chlorobenzoyl)oxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl 4-chlorobenzoate
이름 및 동의어
1294481-80-3(2R,3R,4R,5R)-2-[(4-chlorobenzoyloxy)methyl]-4-fluoro-5-hydroxy-4-methyloxolan-3-yl 4-chlorobenzoate(2R)-2-Deoxy-2-fluoro-2-methyl-D-erythro-pentonic acid-gamma-lactone 3,5-bis(4-chlorobenzoate)beta-D-erythro-Pentofuranose, 2-deoxy-2-fluoro-2-methyl-, 3,5-bis(4-chlorobenzoate), (2R)-(2R,3R,4R,5R)-2-[(4-chlorobenzoyloxy)methyl]-4-fluoro-5-hydroxy-4-methyloxolan-3-yl4-chlorobenzoateSCHEMBL2481853VMHGRJLDOZXGNA-XNFNUYLZSA-NCS-0185099P12937|A-D-erythro-Pentofuranose, 2-deoxy-2-fluoro-2-methyl-, 3,5-bis(4-chlorobenzoate), (2R)-((2R,3R,4R,5R)-3-((4-chlorobenzoyl)oxy)-4-fluoro-5-hydroxy-4-methyltetrahydrofuran-2-yl)methyl 4-chlorobenzoate((2R,3R,4R,5R)-3-(4-chlorobenzoyloxy)-4-fluoro-5-hydroxy-4-methyltetrahydrofuran-2-yl)methyl 4-chlorobenzoate
데이터베이스 식별자
- CAS
1294481-80-3- PubChem CID
- 53304768
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 82.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 592
관련 반응
4건
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