D-threo-PPMP
기본 정보
- CAS
149022-18-4- 표준 SMILES
CCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@H](O)c1ccccc1- InChIKey
OFBANDBMHLEMFA-XRKRLSELSA-N- 분자식
- C29H50N2O3
- 평균 분자량
- 474.7 g/mol
- 단동위원소 질량
- 474.38214346
개요
(1R,2R)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol is an N-[1-hydroxy-3-(morpholin-4-yl)-1-phenylpropan-2-yl]hexadecanamide in which both stereocentres have R configuration. It has a role as an EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor. It is an enantiomer of a (1S,2S)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol.
이름 및 식별자
- 우선 이름
- D-threo-PPMP
- IUPAC
- N-[(1R,2R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]hexadecanamide
- 영어명
- D,L-threo-1-Phenyl-2-hexadecanoylamino-3-morpholino-1-propanol HCl
- 분자식
- C29H50N2O3
- 분자량
- 474.72
이름 및 동의어
D-threo-PPMP149022-18-4(1R,2R)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanolN-[(1R,2R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]hexadecanamideN-[(1R,2R)-1-hydroxy-3-(morpholin-4-yl)-1-phenylpropan-2-yl]hexadecanamideD,L-THREO-1-PHENYL-2-HEXADECANOYLAMINO-3-MORPHOLINO-1-PROPANOL HCLHexadecanamide, N-((1R,2R)-2-hydroxy-1-(4-morpholinylmethyl)-2-phenylethyl)-rel-N-[(1R,2R)-2-Hydroxy-1-(4-morpholinylmethyl)-2-phenylethyl]hexadecanamideHexadecanamide, N-[(1R,2R)-2-hydroxy-1-(4-morpholinylmethyl)-2-phenylethyl]-, rel-Hexadecanoic acid ((1R,2R)-2-hydroxy-1-morpholin-4-ylmethyl-2-phenyl-ethyl)-amiderel-N-[(1R,2R)-2-Hydroxy-1-(4-morpholinylmethyl)-2-phenylethyl]-hexadecanamideDL-threo-PPMP
이름 더 보기
DL-PPMP(±)-ppmpdl-threo-1D,L-threo-PPMPD,L-THREO-PPMP HCLDL-THREO-PPMP HYDROCHLORIDEdl-threo-1-phenyl-2-palmitoylamino-3-*morpholino-D,L-threo-PPMP, Glucosylceramide synthase inhibitorDL-THREO-1-PHENYL-2-PALMITOYLAMINO-3-*MO RPHOLINO-1-
(1R,threo)-PPMPDL-threo-1-Phenyl-2-palmitoylamino-3-morpholino-1-propanol(R,R)-PPMPCBiol_001749BSPBio_001296KBioGR_000016KBioSS_000016(1R,2R)-PPMP
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 61.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 490
물리화학적 성질
- 끓는 점
- 642.835 · 642.835±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.006 · 1.006±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 흰색-분홍색 고체.
- 산도 계수 (pKa)
- 13.597 · 13.597±0.20(predicted)
- InChIKey
- OFBANDBMHLEMFA-XRKRLSELSA-N
- SMILES
- CCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@H](O)c2ccccc2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
추가 설명
정의ChEBI: An N-[1-hydroxy-3-(morpholin-4-yl)-1-phenylpropan-2-yl]hexadecanamide in which both stereocentres have R configuration.
관련 반응
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