기본 정보
- CAS
37134-61-5- 표준 SMILES
CCCCCCCC(CC(=O)O)OC(=O)CC(CCCCCCC)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
PPMPLIBYTIWXPG-MSJADDGSSA-N- 분자식
- C26H48O9
- 평균 분자량
- 504.7 g/mol
- 단동위원소 질량
- 504.3298331
개요
L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid is a glycolipid, an alpha-L-rhamnoside of 3-[(3-hydroxydecanoyl)oxy]decanoic acid. It has a role as a nonionic surfactant. It is an alpha-L-rhamnoside and a glycolipid. It is a conjugate acid of a L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoate.
이름 및 식별자
- 우선 이름
- 1-(Carboxymethyl)octyl 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)decanoate
- IUPAC
- 3-[3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydecanoyloxy]decanoic acid
- 현지명
- 람노피라노실-3-하이드록시데카노일-3-하이드록시데카노에이트
- 영어명
- rhamnopyranosyl-3-hydroxydecanoyl-3-hydroxydecanoate
- 분자식
- C26H48O9
- 분자량
- 504.65
이름 및 동의어
Mono-rhamnolipid37134-61-5Rhamnopyranosyl-3-hydroxydecanoyl-3-hydroxydecanoate1-(Carboxymethyl)octyl 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)decanoateRhamnosyl-beta-hydroxydecanoyl-beta-hydroxydecanoateDecanoic acid, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-, 1-(carboxymethyl)octyl esterRefChem:882911609-331-0RphdhdRhamnolipid 2Rhamnolipid R1L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid
이름 더 보기
람노피라노실-3-하이드록시데카노일-3-하이드록시데카노에이트R-ZGlycolipid ARhamnolipid 13-[3-(α-L-Rhamnopyranosyloxy)decanoyloxy]decanoic acid3-[(α-L-Rhamnopyranosyl)oxy]decanoic acid 1-(carboxymethyl)octyl ester3-[(6-Deoxy-α-L-mannopyranosyl)oxy]decanoic acid 1-(carboxymethyl)octyl esterDecanoic acid,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-,1-(carboxymethyl)octyl ester
3-[3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydecanoyloxy]decanoic acid3-({3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]decanoyl}oxy)decanoic acidRhamnolipid RL13-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acidSCHEMBL374624orb3178505CHEBI:622553-[3-(alpha-l-rhamnopyranosyloxy)decanoyloxy]decanoic acid
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 143 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 585
실험 및 물리화학적 성질
LipidsLipids -> Fatty Acyls [FA] -> Fatty acyl glycosides [FA13] -> Rhamnolipids [FA1303]
물리화학적 성질
- 끓는 점
- 659.7 · 659.7±55.0 °C(Predicted)
- 밀도
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.96 · 3.96±0.10(Predicted)
- EPA
- 3 · Decanoic acid, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-, 1-(carboxymethyl)octyl ester (37134-61-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
EPA Safer ChemicalChemical: Rhamnopyranosyl-3-hydroxydecanoyl-3-hydroxydecanoate
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
General Manufacturing InformationDecanoic acid, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-, 1-(carboxymethyl)octyl ester: ACTIVE
추가 설명
정의ChEBI: A glycolipid, an alpha-L-rhamnoside of 3-[(3-hydroxydecanoyl)oxy]decanoic acid.
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