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Huagongshe 오픈 프로젝트：[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.9
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N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5S,6S)-6-[[(2R,3R,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxyoxan-2-yl]methoxy]-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

HCID 178601031
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기본 정보이름 및 식별자물성관련 반응화합물 노트
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기본 정보

CAS
83619-90-3
표준 SMILES
CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](C=O)NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
InChIKey
BECOXDPNTVLPDM-RYWXUWBISA-N
분자식
C82H136N8O56
평균 분자량
2,130 g/mol
단동위원소 질량
2,128.8040151

이름 및 식별자

우선 이름
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5S,6S)-6-[[(2R,3R,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxyoxan-2-yl]methoxy]-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
IUPAC
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5S,6S)-6-[[(2R,3R,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxyoxan-2-yl]methoxy]-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
영어명
MANNOTRIOSE-DI-(N-ACETYL-D-GLUCOSAMINE)&
분자식
C82H136N8O56
분자량
2129.97724

이름 및 동의어

NGA5BAsialo, agalacto pentantennary bisecting GlcNAcAsialo, agalacto, bisected pentaanennary (NGA5B)mannotriose-di-(N-acetyl-D-glucosamine) bisectingAsialo, agalacto pentantennary bisecting GlcNAc, NGA5BMannotriose-di-(N-acetyl-D-glucosamine), bisecting hexakis-(N-acetyl-D-glucosaminyl)-D-Glucose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)]-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-α-D-mannopyranosyl-(1→6)-O-[O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)...

데이터베이스 식별자

CAS
83619-90-3
PubChem CID
131864312

물성

구조 계산 물성

XLogP
-21.6
극성 표면적
981 Ų
수소 결합 공여자 수
35
수소 결합 수용자 수
56
회전 가능 결합 수
43
무거운 원자 수
146
형식 전하
0
복잡도
4,170

물리화학적 성질

밀도
1.69 · 1.69±0.1 g/cm3(Predicted)
저장 조건
2 · 2-8°C

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