기본 정보
- CAS
84325-23-5- 표준 SMILES
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)ccc12- InChIKey
PRTGXBPFDYMIJH-KSFLKEQHSA-N- 분자식
- C22H28O13
- 평균 분자량
- 500.4 g/mol
- 단동위원소 질량
- 500.15299094
이름 및 식별자
- 우선 이름
- 4-Methylumbelliferyl-beta-D-lactoside
- IUPAC
- 7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methylchromen-2-one
- 영어명
- 4-Methylumbelliferyl-beta-D-lactoside
- 분자식
- C22H28O13
- 분자량
- 500.45
이름 및 동의어
84325-23-54-METHYLUMBELLIFERYL-BETA-D-LACTOSIDE4-Methylumbelliferyl beta-D-lactoside4-Methylumbelliferyl b-D-lactoside4-Methylumbelliferyl-|A-D-lactosideMFCD000834067-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methylchromen-2-oneC22H28O132H-1-Benzopyran-2-one,7-[(4-O-b-D-galactopyranosyl-b-D-glucopyranosyl)oxy]-4-methyl-4-Methylumbelliferyl b-D-lactoside; 7-[(4-O-?-D-Galactopyranosyl-?-D-glucopyranosyl)oxy]-4-methyl-2H-1-benzopyran-2-one; 2H-1-Benzopyran-2-one, 7-[(4-O-?-D-galactopyranosyl-?-D-glucopyranosyl)oxy]-4-methyl-7-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methyl-2H-chromen-2-oneGal|?1-4Glc|?MU
이름 더 보기
Galβ1-4GlcβMU4MU-β-D-Lactoside4-MU-BETA-D-LACTOSIDE4-Methylumbelliferyl-β-D-lactoside4-METHYLUMBELLIFERYL-B-D-LACTOSIDE4-methylumbelliferyl β-d-lactopyranoside4-Methylumbelliferyl β-D-lactopyranoside4-METHYLUMBELLIFERYL BETA-D-LACTOPYRANOSIDE
orb2941918SCHEMBL13096299SCHEMBL29548693DTXSID004703454-Methylumbelliferyl--D-lactosideTSW-00113EM06840s12046
데이터베이스 식별자
- CAS
84325-23-5- PubChem CID
- 11670553
- DTXSID
DTXSID00470345- Nikkaji
- J931.597G
물성
구조 계산 물성
- XLogP
- -2.9
- 극성 표면적
- 205 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 776
물리화학적 성질
- 녹는점
- 178 °C · >178°C (dec.)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 에 용해됨DMF
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 수용성
- 9.8 · water: 9.80-10.20mg/mL, clear, colorless to faintly yellow
- BRN
- 8094402 · 8094402
- InChIKey
- PRTGXBPFDYMIJH-LTRTYOHLNA-N
- SMILES
- C12OC(C=C(C)C=1C=CC(O[C@H]1[C@H](O)[C@H]([C@H](O[C@H]3[C@H](O)[C@H]([C@@H](O)[C@@H](CO)O3)O)[C@@H](CO)O1)O)=C2)=O |&1:11,12,14,15,17,18,20,21,23,28,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 29322090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-24/25-22
- F 고인화성물질
- 8-10
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도4-Methylumbelliferyl-β-D-lactoside (CAS# 84325-23-5) is a fluorescent coumarin glycoside, used in the preparation of fluorescent probes for sialidases and sialyltransferases.
상·하류 제품 정보
상류 원료
공급사41 곳
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