CAS 13244-75-2 (S)-4-hydroxymandelic acid (HCID 439940)

기본 정보

CAS: 13244-75-2
표준 SMILES: O=C(O)[C@@H](O)c1ccc(O)cc1
InChIKey: YHXHKYRQLYQUIH-ZETCQYMHSA-N
분자식: C8H8O4
평균 분자량: 168.15 g/mol
단동위원소 질량: 168.04225873

개요

(S)-4-hydroxymandelic acid is a 4-hydroxymandelic acid that has S-configuration. It is a 4-hydroxymandelic acid and a (2S)-2-hydroxy monocarboxylic acid. It is a conjugate acid of a (S)-4-hydroxymandelate. It is an enantiomer of a (R)-4-hydroxymandelic acid.

이름 및 식별자

우선 이름: (S)-4-hydroxymandelic acid
IUPAC: (2S)-2-hydroxy-2-(4-hydroxyphenyl)acetic acid
현지명: (S)-4-히드록시만델산
영어명: (S)-4-hydroxymandelic acid
분자식: C8H8O4
분자량: 168.15

이름 및 동의어

(S)-4-hydroxymandelic acid13244-75-2(2S)-2-hydroxy-2-(4-hydroxyphenyl)acetic acid(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetic acidL-p-Hydroxymandelic acidS)-p-hydroxymandelic acid4-hydroxy-L-mandelic acid(+)-p-Hydroxymandelic acid4-Hydroxymandelic acid, L-G3FLY66R5P(+)-4-Hydroxymandelic acid

이름 더 보기

(S)-4-히드록시만델산Benzeneacetic acid, α,4-dihydroxy-, (αS)-

4-Hydroxymandelic acid, (S)-Mandelic acid, p-hydroxy-, L-(2S)-hydroxy(4-hydroxyphenyl)acetic acidHHHUNII-G3FLY66R5PSCHEMBL1957930CHEBI:32802YHXHKYRQLYQUIH-ZETCQYMHSA-N

데이터베이스 식별자

CAS: 13244-75-2
PubChem CID: 439940
ChEBI: CHEBI:32802
UNII: G3FLY66R5P
Nikkaji: J74.174D

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 77.8 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 160

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점: 405.4 · 405.4±30.0 °C(Predicted)
밀도: 1.48 · 1.480±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.51 · 3.51±0.10(Predicted)

화학 및 산업

공급사12 곳

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

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上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

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