기본 정보
- CAS
28715-21-1- 표준 SMILES
CCCCCCCCCCC[C@@H](O)CC(=O)O- InChIKey
ATRNZOYKSNPPBF-CYBMUJFWSA-N- 분자식
- C14H28O3
- 평균 분자량
- 244.37 g/mol
- 단동위원소 질량
- 244.20384476
개요
(R)-3-hydroxytetradecanoic acid is a 3-hydroxytetradecanoic acid that has R configuration at position 3. It plays an intermediate role in fatty acid biosynthesis. It is a 3-hydroxytetradecanoic acid and a (3R)-3-hydroxy fatty acid. It is functionally related to a tetradecanoic acid. It is a conjugate acid of a (R)-3-hydroxytetradecanoate. It is an enantiomer of a (S)-3-hydroxytetradecanoic acid.
이름 및 식별자
- 우선 이름
- (R)-3-hydroxytetradecanoic acid
- IUPAC
- (3R)-3-hydroxytetradecanoic acid
- 현지명
- 3-하이드록시테트라데카노익산
- 영어명
- (R)-3-Hydroxy Myristic Acid
- 분자식
- C14H28O3
- 분자량
- 244.37
이름 및 동의어
(R)-3-Hydroxytetradecanoic acid28715-21-1(R)-3-Hydroxymyristic acid(R)-(-)-3-Hydroxytetradecanoic acidTetradecanoic acid, 3-hydroxy-, (3R)-D-(-)-beta-Hydroxymyristic acid(3R)-hydroxymyristic acid(-)-3-hydroxymyristic acid3-Hydroxymyristic acid, (-)-CHEBI:425393-Hydroxymyristic acid, (3R)-(R)-3-Hydroxy-tetradecanoic acid
이름 더 보기
3-하이드록시테트라데카노익산3-HYDROXYMYRISTIC ACID3-HYDROXYTETRADECANOIC ACID3-HYDROXY C14:0 ACID(3R)-TetradecanoicacidHYDROXYMYRISTIC ACID, 3-(R)-3-HydroxyMyristicAciDL-BETA-HYDROXYMYRISTIC ACIDD-3-Hydroxytetradecanoic Acid(R)-(-)-3-Hydroxytetradecanoic
R7C245Y68XDTXSID001305047D-(-)-.BETA.-HYDROXYMYRISTIC ACIDRefChem:407295DTXCID301735045631-127-5(3R)-3-Hydroxytetradecanoic acid(r)-3-hydroxy myristic acid
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 180
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 71 · 71-72°C
- 끓는 점
- 376.9 · 376.9±25.0 °C(Predicted)
- 밀도
- 0.969 · 0.969±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 디클로로메탄(약간 용해됨), 디에틸에테르(약간 용해됨)
- 산도 계수 (pKa)
- 4.38 · 4.38±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1
- InChIKey
- ATRNZOYKSNPPBF-CYBMUJFWSA-N
- SMILES
- C(O)(=O)C[C@H](O)CCCCCCCCCCC
화학적 성질
안전 및 규제
GHS 분류
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesEye Dam. 1 (100%)
안전 데이터
- wgk
- 3
화학 및 산업
약리 정보
Cellular LocationsExtracellular
Metabolite PathwaysFatty Acid Biosynthesis
응용 분야
용도One of two major component of bacterial Lipid A .
일반 설명(R)-3-Hydroxy myristic acid is a low energy compound that can be synthesized by stepwise reactions. This molecule can be obtained from the wild-type strain of Escherichia coli and purified by preparative high performance liquid chromatography (preparative HPLC). The molecule has an asymmetric carbon atom and an hydroxy group at one end. It also contains a monoclonal antibody with a hydroxyl group and a fatty acid, which can be analyzed using mass spectrometry. Chemical analysis of this molecule reveals that it is composed of two fatty acids, including linoleic acid and 3-hydroxy myristic acid.
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