5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclopentyl-4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-3H-pyran-6-one
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- 표준 SMILES
Cc1cc(SC2=C(O)CC(CCc3cccc(O)c3)(C3CCCC3)OC2=O)c(C(C)(C)C)cc1CO- InChIKey
RNAHYDYIOWBMRG-UHFFFAOYSA-N- 분자식
- C30H38O5S
- 평균 분자량
- 510.7 g/mol
이름 및 식별자
- 우선 이름
- 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclopentyl-4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-3H-pyran-6-one
- IUPAC
- 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-2-cyclopentyl-4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-3H-pyran-6-one
이름 및 동의어
5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclopentyl-4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-3H-pyran-6-oneSCHEMBL5881008RNAHYDYIOWBMRG-UHFFFAOYSA-N(S)-3-[2-(tert-Butyl)-4-(hydroxymethyl)-5-methylphenylthio]-6-cyclopentyl-4-hydroxy-6-[2-(3-hydroxyphenyl)ethyl]-5,6-dihydro-2H-pyran-2-one3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-6-cyclopentyl-4-hydroxy-6-[2-(3-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one3-[2-(tert-Butyl)-4-(hydroxymethyl)-5-methylphenylthio]-6-cyclopentyl-4-hydroxy-6-[2-(3-hydroxyphenyl)ethyl]-5,6-dihydro-2H-pyran-2-one
데이터베이스 식별자
- PubChem CID
- 54713183
물성
구조 계산 물성보충 중
- XLogP
- 7.1
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 798
관련 반응
4건
화합물 노트
불러오는 중…