Methyl 3-hydroxymyristate

HCID 180523

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 55682-83-2
표준 SMILES: CCCCCCCCCCCC(O)CC(=O)OC
InChIKey: UOZZAMWODZQSOA-UHFFFAOYSA-N
분자식: C15H30O3
평균 분자량: 258.4 g/mol
단동위원소 질량: 258.21949482

개요

a quorum sensing signal; structure in first source

이름 및 식별자

우선 이름: Methyl 3-hydroxymyristate
IUPAC: methyl 3-hydroxytetradecanoate
영어명: 3-Hydroxy Myristic Acid Methyl Ester
분자식: C15H30O3
분자량: 258.4

이름 및 동의어

Methyl 3-hydroxymyristateRefChem:1574953-OH MAMEMethyl 3-hydroxytetradecanoate55682-83-23-Hydroxy Myristic Acid Methyl Ester104871-97-8METHYL (+/-)-3-HYDROXYMYRISTATETetradecanoic acid, 3-hydroxy-, methyl ester3-HYDROXYTETRADECANOIC ACID METHYL ESTERorb1693486SCHEMBL2504944

이름 더 보기

Methyl (±)-3-hydroxymyristateMethyl 3-hydroxytetradecanoate, 3-Hydroxy fatty acid methyl ester

DTXSID50971039Methyl (+/-)-3-hydroxymyristateAKOS040755437AT48061HY-W3424993-HYDROXY C14:0 METHYL ESTER3-Hydroxytetradecanoic acid methyl ester, DL-beta-Hydroxymyristic acid methyl esterDB-052771

데이터베이스 식별자

CAS: 55682-83-2
PubChem CID: 180523
DTXSID: DTXSID50971039
Nikkaji: J109.454H

물성

구조 계산 물성

XLogP: 5
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 13
무거운 원자 수: 18
형식 전하: 0
복잡도: 192

물리화학적 성질

녹는점: 34 · 34-38°C
끓는 점: 359.1 · 359.1±15.0 °C(Predicted)
밀도: 0.931 · 0.931±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 13.91 · 13.91±0.20(Predicted)
색상: 흰색에서 연한 노란색
InChI: InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h14,16H,3-13H2,1-2H3
InChIKey: UOZZAMWODZQSOA-UHFFFAOYSA-N
SMILES: C(OC)(=O)CC(O)CCCCCCCCCCC

화학적 성질

3-Hydroxy Myristic Acid Methyl Ester is Pale Yellow Low Melting Solid

화학 및 산업

응용 분야 · 2건

개요3-hydroxy Myristic acid methyl ester is a hydroxylated fatty acid methyl ester that has been found in E. camaldulensis and E. torelliana extracts. It is active against M. tuberculosis (MIC = 49.5 μg/ml) and is non-cytotoxic to Vero cells (IC50 = >100 μM). 3-hydroxy Myristic acid methyl ester is also a volatile compound that contributes to the aroma of red wild strawberries (F. pentaphylla) but is not present in cultivated strawberries (Fragaria x ananassa). [Matreya, LLC. Catalog No. 1736]

용도3-Hydroxytetradecanoic Acid Methyl Ester is used in the preparation of (S)-3-hydroxytetradecanoic acid and synthesis of unnatural analogs of lipid A containing the (S)-acid.