7-(alpha-D-Galactopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one

HCID 119835CAS 28541-83-5

기본 정보

표준 SMILES: Cc1cc(=O)oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12
InChIKey: YUDPTGPSBJVHCN-UHFFFAOYSA-N
분자식: C16H18O8
평균 분자량: 338.31 g/mol
단동위원소 질량: 338.10016753

이름 및 식별자

우선 이름: 7-(alpha-D-Galactopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one
IUPAC: 4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
영어명: 4-Methylumbelliferyl α-D-mannopyranoside
분자식: C16H18O8
분자량: 338.31

이름 및 동의어

7-(alpha-D-Galactopyranosyloxy)-4-methyl-2H-1-benzopyran-2-oneEINECS 254-031-14-methyl-2-oxo-2h-chromen-7-yl hexopyranoside4-Methylumbelliferyl-beta-D-glucoside4-METHYLUMBELLIFERYL-alpha-D-MANNOPYRANOSIDEC16H18O84-methylumbelliferyl alpha-d-mannoside4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydropyran-2-yl oxy)]chromen-2-one4-Methyl-7-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one4-methylumbelliferyl-a-d-galactopyranosideMUD4-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

이름 더 보기

GC-2044MU-α-Man4-MU-BETA-D-MAN4-MU-ALPHA-D-MAN4-MU-ALPHA-D-MANNOSIDE4-MU a-D-mannopyranoside4-Methylumbelliferyl a-D-mannoside4-Methylumbelliferyl α-D-mannoside4-Methylumbelliferyl-Alpha-D-Manno-4-METHYLUMBELLIFERYL BETA-D-MANNOSIDE

4-methylumbelliferylmannosideTimTec1_001369Oprea1_8659307-(alpha-D-Mannopyranosyloxy)-4-methyl-2H-1-benzopyran-2-oneSCHEMBL2319034YUDPTGPSBJVHCN-UHFFFAOYSA-NHMS1537O05HMS3604E20

데이터베이스 식별자

CAS: 28541-83-5、38597-12-5
PubChem CID: 119835

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 126 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 8
회전 가능 결합 수: 3
무거운 원자 수: 24
형식 전하: 0
복잡도: 506

물리화학적 성질

녹는점: 190 °C · 190 °C
끓는 점: 626.9 · 626.9±55.0 °C(Predicted)
밀도: 1.522 · 1.522±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 20 mg/mL, · 피리딘: 20mg/mL, 투명하고 희미한 노란색
물리적 상태: 고체
산도 계수 (pKa): 12.73 · 12.73±0.70(Predicted)
색상: 흰색에서 황백색까지
BRN: 1266648 · 1266648
안정성: 흡습성
InChI: 1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15+,16+/m1/s1
InChIKey: YUDPTGPSBJVHCN-VMMWWAARSA-N
SMILES: CC1=CC(=O)Oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc12

화학적 성질

White Solid

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29400090
safety_code: 24/25
F 고인화성물질: 3-10-21
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사50 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

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

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

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

河南赢创生物科技有限公司16650615803 · [email protected]

연결된 노트

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