CAS 41708-93-4 Chitotriose (HCID 121978)

기본 정보

CAS: 41708-93-4
표준 SMILES: N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N)[C@H](O[C@@H]([C@H](O)[C@@H](N)C=O)[C@H](O)CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey: HBAVVSYNWHLVDB-UDAFUQIYSA-N
분자식: C18H35N3O13
평균 분자량: 501.5 g/mol
단동위원소 질량: 501.21698818

이름 및 식별자

우선 이름: Chitotriose
IUPAC: (2R,3R,4S,5R)-2-amino-4-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyhexanal
현지명: 키토트리오스3HCl
영어명: Chitotriose 3HCl
분자식: C18H35N3O13
분자량: 501.48

이름 및 동의어

chitotriose41708-93-4ChitintrioseChitotrisaccharideDTXSID401319111(2R,3R,4S,5R)-2-amino-4-(((2S,3R,4R,5S,6R)-3-amino-5-(((2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-3,5,6-trihydroxyhexanal(2R,3R,4S,5R)-2-amino-4-{[(2S,3R,4R,5S,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxyhexanalRefChem:125239DTXCID401748067(2R,3S,4R,5R,6S)-5-amino-6-((2R,3S,4R,5R,6S)-5-amino-6-((2R,3S,4R,5R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy-2-(hydroxymethyl)oxane-3,4-diolCHEBI:84373CHITOTRIOSE 3HCL

이름 더 보기

키토트리오스3HClChitosantrioseChitosantriose 3HCLChitosan Trimer extrapure, 98%Chitin oligosaccharides DP3 / chitintriose2-Amino-2-deoxy-β-D-glucopyranosyl-(1->4)-Chitotriose Hydrochloride, Chitotriose 3HCl

물성

구조 계산 물성

XLogP: -7.9
극성 표면적: 294 Å²
수소 결합 공여자 수: 11
수소 결합 수용자 수: 16
회전 가능 결합 수: 11
무거운 원자 수: 34
형식 전하: 0
복잡도: 636

실험 및 물리화학적 성질

Physical DescriptionSolid

물리화학적 성질

끓는 점: 903.7 · 903.7±65.0 °C(Predicted)
밀도: 1.63 · 1.63±0.1 g/cm3(Predicted)
산도 계수 (pKa): 11.01 · 11.01±0.45(Predicted)

안전 및 규제

안전 데이터

HS 번호: 29400090
safety_code: 24/25

화학 및 산업

공급사39 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海惠诚生物科技有限公司60498804 18930850192 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

화합물 노트

불러오는 중…

키토트리오스3HCl