(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol

HCID 7315241

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

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4건

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