[(3S,4S,5R,6S)-3,4,5-tri-benzyloxy-6-[4-chloro-3-[(2,3-difluoro-4-methoxy-phenyl)methyl]phenyl]-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-2-yl]methanol
기본 정보
- 표준 SMILES
COc1ccc(Cc2cc([C@]3(OC)OC(CO)(CO)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)c(F)c1F- InChIKey
SVRSOLBEJLZSDR-RYVDOHALSA-N- 분자식
- C43H43ClF2O8
- 평균 분자량
- 761.2 g/mol
이름 및 식별자
- 우선 이름
- [(3S,4S,5R,6S)-3,4,5-tri-benzyloxy-6-[4-chloro-3-[(2,3-difluoro-4-methoxy-phenyl)methyl]phenyl]-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-2-yl]methanol
- IUPAC
- [(3S,4S,5R,6S)-6-[4-chloro-3-[(2,3-difluoro-4-methoxyphenyl)methyl]phenyl]-2-(hydroxymethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
이름 및 동의어
SCHEMBL10041218SVRSOLBEJLZSDR-RYVDOHALSA-N[(3S,4S,5R,6S)-3,4,5-tri-benzyloxy-6-[4-chloro-3-[(2,3-difluoro-4-methoxy-phenyl)methyl]phenyl]-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-2-yl]methanol[(3S,4S,5R,6S)-3,4,5-tribenzyloxy-6-[4-chloro-3-[(2,3-difluoro-4-methoxy-phenyl)methyl]phenyl]-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-2-yl]methanol
데이터베이스 식별자
- PubChem CID
- 68015201
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 95.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,090
관련 반응
3건
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