CAS 108636-29-9 Uridine 5'-(trihydrogen diphosphate), P'-(2-(acetylamino)-2-deoxy-3-O-((3R)-3-hydroxy-1-oxotetradecyl)-alpha-D-glucopyranosyl) ester (HCID 194791)

기본 정보

CAS: 108636-29-9
표준 SMILES: CCCCCCCCCCC[C@@H](O)CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@@H]1NC(C)=O
InChIKey: TZSJGZGYQDNRRX-MPLCHSTDSA-N
분자식: C31H53N3O19P2
평균 분자량: 833.7 g/mol
단동위원소 질량: 833.27485046

개요

UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetyl-alpha-glucosamine is a UDP-amino sugar having 3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetyl-alpha-glucosamine as the amino sugar component. It is functionally related to an UDP-alpha-D-glucosamine. It is a conjugate acid of an UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetylglucosamine(2-).

이름 및 식별자

우선 이름: Uridine 5'-(trihydrogen diphosphate), P'-(2-(acetylamino)-2-deoxy-3-O-((3R)-3-hydroxy-1-oxotetradecyl)-alpha-D-glucopyranosyl) ester
IUPAC: [(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] (3R)-3-hydroxytetradecanoate
현지명: UDP-3-O-(3-하이드록시미리스토일)-N-아세틸글루코사민
영어명: UDP-3-O-(3-hydroxymyristoyl)-N-acetylglucosamine
분자식: C31H53N3O19P2
분자량: 833.71

이름 및 동의어

108636-29-9UDP-3-O-(3-hydroxymyristoyl)-N-acetylglucosamineRefChem:933852N-((2R,3R,4R,5S,6R)-2-(((((((2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-5-hydroxy-6-(hydroxymethyl)-4-(((3R)-3-hydroxytetradecanoyl)oxy)oxan-3-yl)ethanimidic acidUridine 5'-(trihydrogen diphosphate), P'-(2-(acetylamino)-2-deoxy-3-O-((3R)-3-hydroxy-1-oxotetradecyl)-alpha-D-glucopyranosyl) esterUdp-3-hmaglcUDP-3-O-acyl-GlcNAc[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] (3R)-3-hydroxytetradecanoateUDP-3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetyl-alpha-glucosamineUridine-5'-Diphosphate-3-O-(R-3-Hydroxymyristoyl)-N-Acetyl-D-Glucosamine(3R)-(2R,3R,4R,5S,6R)-3-Acetamido-2-(((((((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl 3-hydroxytetradecanoate

물성

구조 계산 물성

XLogP: -1.2
극성 표면적: 327 Å²
수소 결합 공여자 수: 9
수소 결합 수용자 수: 19
회전 가능 결합 수: 24
무거운 원자 수: 55
형식 전하: 0
복잡도: 1,420

실험 및 물리화학적 성질

LipidsLipids -> Saccharolipids [SL] -> Acylaminosugars [SL01] -> Diacylaminosugars [SL0102]

물리화학적 성질

밀도: 1.5 · 1.50±0.1 g/cm3(Predicted)
용해도: 물에 용해됨
산도 계수 (pKa): 1.1 · 1.10±0.50(Predicted)

화학 및 산업

응용 분야

용도UDP-3-O[R-3-Hydroxymyristoyl]-N-acetylglucosamine is a lipid A precursor for Escherichia coli.

공급사8 곳

常州市华阳科技有限公司+8615250961469 · [email protected]

BOC Sciences16314854226 · [email protected]

河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]

career henan chemical co+86-0371-86658258 · [email protected]

海蔚化学86-21-51086038 · [email protected]

추가 설명

정의ChEBI: A UDP-amino sugar having 3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetyl-alpha-glucosamine as the amino sugar component.

화합물 노트

불러오는 중…

UDP-3-O-(3-하이드록시미리스토일)-N-아세틸글루코사민