2-히드록시이소카프로산

(+-)-2-Hydroxyisocaproic acid

HCID 92779CAS 10303-64-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)CC(O)C(=O)O
InChIKey: LVRFTAZAXQPQHI-UHFFFAOYSA-N
분자식: C6H12O3
평균 분자량: 132.16 g/mol
단동위원소 질량: 132.07864424

이름 및 식별자

우선 이름: (+-)-2-Hydroxyisocaproic acid
IUPAC: 2-hydroxy-4-methylpentanoic acid
현지명: 2-히드록시이소카프로산
영어명: DL-LEUCIC ACID
분자식: C6H12O3
분자량: 132.16

이름 및 동의어

498-36-22-Hydroxy-4-methylvaleric acidLeucic acidalpha-Hydroxyisocaproic acidPentanoic acid, 2-hydroxy-4-methyl-DL-alpha-Hydroxyisocaproic acid8RN4NSX3TYCHEBI:59783RefChem:798973(+-)-2-Hydroxyisocaproic acid207-860-8233-677-8

이름 더 보기

2-히드록시이소카프로산2-하이드록시-4-메틸발레르산alpha-HydroxyisocaproateEinecs 233-677-8Einecs 207-860-8DL-LeucicAcid>Pregabalin Impurity 175alpha-hydroxyisocaproicacid

2-Hydroxy-4-methylpentanoic acidDL-leucic acid2-Hydroxyisocaproic acid10303-64-7leucinic acid2-HYDROXY-4-METHYL-PENTANOIC ACIDd-alpha-hydroxyisocaproic acidDL-2-Hydroxyisocaproic acid

데이터베이스 식별자

CAS: 10303-64-7、498-36-2
PubChem CID: 92779
DTXSID: DTXSID80862047
ChEMBL: CHEMBL3247392
ChEBI: CHEBI:59783
UNII: 8RN4NSX3TY
EC Number: 207-860-8、233-677-8
Nikkaji: J6.108E

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 98

물리화학적 성질

녹는점: 78 · 78-80 °C(lit.)
끓는 점: 251.3 · 251.3±13.0 °C(Predicted)
밀도: 1.097 · 1.097±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 12 mg/ml; · DMF: 12 mg/ml; DMSO: 11 mg/ml; Ethanol: Slightly soluble; PBS (pH 7.2): 5 mg/ml
물리적 상태: powder to crystal
산도 계수 (pKa): 3.86 · 3.86±0.21(Predicted)
색상: 흰색에서 거의 흰색
수용성: 물에 용해됩니다. (82g/L), 25°C에서.
InChI: 1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
InChIKey: LVRFTAZAXQPQHI-UHFFFAOYSA-N
SMILES: CC(C)CC(O)C(O)=O
LogP: 0.522 · 0.522 (est)
EPA: 2 · 2-Hydroxy-4-methylvaleric acid (498-36-2)

안전 및 규제

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2918199890
risk_code: 36/37/38-21
hazard_code: Xn
safety_code: 36/37/39-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Hydroxy-4-methylvaleric acid is used as nutrients, stabilizers, surfactants and emulsifiers.

공급사33 곳

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

추가 설명 · 1건

정의ChEBI: A valeric acid derivative having a hydroxy substituent at the 2-position and a methyl substituent at the 4-position; an alpha-hydroxy analogue of leucine. A bacterial metabolite, it has also been isolated from amniotic fluid, was found in patient with dihydrolipoyl dehydrogenase deficiency and is present in the urine of patients with short bowel syndrome.