기본 정보
- CAS
117894-14-1- 표준 SMILES
CC(=O)N[C@H]1CN[C@H](CO)[C@H](O)[C@@H]1O- InChIKey
GBRAQQUMMCVTAV-OSMVPFSASA-N- 분자식
- C8H16N2O4
- 평균 분자량
- 204.22 g/mol
- 단동위원소 질량
- 204.111007
이름 및 식별자
- 우선 이름
- N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
- IUPAC
- N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
- 영어명
- 2-Acetamido-1,5-imino-1,2,5-trideoxy-D-galactitol
- 분자식
- C8H16N2O4
- 분자량
- 204.22
이름 및 동의어
117894-14-1AGalN-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamideN-[(3S,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-piperidinyl]-acetamide2-Acetamido-1,5-imino-1,2,5-trideoxy-D-galactitolN-((3S,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)piperidin-3-yl)acetamideN-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-piperidyl]acetamideDGJNAcDJN2-Acetamido-1,2-dideoxy-galactonojirimycinSCHEMBL15521172MA34339
이름 더 보기
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamiN-[(3S,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-piperidinyl]acetamideAcetamide, N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-piperidinyl]-
Acetamide, N-(4,5-dihydroxy-6-(hydroxymethyl)-3-piperidinyl)-, (3S-(3alpha,4beta,5beta,6beta))-Q274593812-acetamido-1,2-dideoxy-D-galacto-nojirimycin; DGJNAcAcetamide, N-[4,5-dihydroxy-6-(hydroxymethyl)-3-piperidinyl]-, [3S-(3a,4b,5b,6b)]-[3S-(3a,4ss,5ss,6ss)]-N-[4,5-Dihydroxy-6-(hydroxymethyl)-3-piperidinyl]-acetamide; 2-Acetamido-1,5-imino-1,2,5-trideoxy-D-galactitol; DGJNAc; 2-acetamido-1,2-dideoxy-d-galacto-nojirimycin
물성
구조 계산 물성
- XLogP
- -2.4
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 212
물리화학적 성질
- 녹는점
- 150 · 150-154 °C
- 끓는 점
- 502.5 · 502.5±50.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 용해도
- soluble in No data available
- 산도 계수 (pKa)
- 13.69 · 13.69±0.70(Predicted)
화학 및 산업
응용 분야
용도N-[(3S,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-piperidinyl]-acetamide is a hexosaminidase inhibitor.
공급사2 곳
BOC Sciences16314854226 · [email protected]
衡阳稼轩生物科技有限公司18684598761
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