기본 정보
- 표준 SMILES
Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1- InChIKey
IQCLIQLFPVKINX-SJHCENCUSA-N- 분자식
- C13H18O5S
- 평균 분자량
- 286.35 g/mol
이름 및 식별자
- 우선 이름
- (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol
- IUPAC
- (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
이름 및 동의어
28244-98-64-METHYLPHENYLTHIO-BETA-D-GALACTOPYRANOSIDE(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol4-Methylphenyl 1-thio-b-D-galactopyranosideCHEMBL4064722MFCD04973631(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol4-Methylphenylthio-b-D-galactopyranoside4-Methylphenyl 1-thio-beta-D-galactopyranosideSCHEMBL3824089IQCLIQLFPVKINX-SJHCENCUSA-NBDBM50247500
이름 더 보기
p-Tolyl 1-Thio--D-galactopyranosidep-Tolyl 1-Thio-b-D-galactopyranosid4-Methylphenylb-D-thiogalactopyranoside4-Methylphenylthio--D-galactopyranosideMM049464-Methylphenyl ?-D-thiogalactopyranoside4-Methylphenylthio-?-D-galactopyranoside4-Methylphenylthio-|A-D-galactopyranoside
데이터베이스 식별자
- PubChem CID
- 7315241
- ChEMBL
CHEMBL4064722- Nikkaji
- J1.643.522H
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 282
관련 반응
4건
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