5-O-메틸비삼미오사이드,6"-O-아피오실-
6"-O-Apiosyl-5-O-Methylvisammioside
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기본 정보
- CAS
139446-82-5- 표준 SMILES
COc1c2c(cc3oc(C)cc(=O)c13)O[C@H](C(C)(C)O[C@@H]1O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C2- InChIKey
SJVSLVBGYDDGSZ-OPKDPXHTSA-N- 분자식
- C27H36O14
- 평균 분자량
- 584.6 g/mol
이름 및 식별자
- 우선 이름
- 6"-O-Apiosyl-5-O-Methylvisammioside
- IUPAC
- (2S)-2-[2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]-4-methoxy-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
- 현지명
- 5-O-메틸비삼미오사이드,6"-O-아피오실-
- 영어명
- 5-O-Methylvisammioside, 6''-O-apiosyl-
- 분자식
- C27H36O14
- 분자량
- 584.57
이름 및 동의어
139446-82-56"-O-Apiosyl-5-O-Methylvisammioside5-O-Methylvisammioside, 6''-O-apiosyl-6''-O-apiosyl-5-O-Methylvisammioside6-O-apiosyl-5-O-Methylvisammioside(2S)-2-[2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]-4-methoxy-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one6/-O-Apiosyl-5-O-Methylvisammiosideorb1296106HY-N2295C27H36O14MFCD307181716'-O-Apiosyl-5-O-Methylvisammioside
이름 더 보기
5-O-메틸비삼미오사이드,6"-O-아피오실--O-Apiosyl-5-O-Methylvisammioside6"-O-Apiosyl-5-O-Methylvisammioside, >99%6"-O-Apiosyl-5-O-Methylvisammioside, 10 mM in DMSO6" O Apiosyl 5 O Methylvisammioside,Inhibitor,6"OApiosyl5OMethylvisammioside,inhibit6" O Apiosyl 5 O Methylvisammioside|||Inhibitor|||6"OApiosyl5OMethylvisammioside|||inhibit|||6"-O-Apiosyl-5-O-Methylvisammioside(S)-2-[1-[(6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-1-methylethyl]-2,3-dihydro-4-methoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one5H-Furo[3,2-g][1]benzopyran-5-one, 2-[1-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-1-methylethyl]-2,3-dihydro-4-methoxy-7-methyl-, (S)- (9CI)
AKOS032945099CS-6184EBC-617562DA-70319MS-30458PD100227(2S)-2-(2-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}propan-2-yl)-4-methoxy-7-methyl-2H,3H,5H-furo[3,2-g]chromen-5-one(2S)-2-[1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-1-methyl-ethyl]-4-methoxy-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
데이터베이스 식별자
- CAS
139446-82-5
물성
구조 계산 물성보충 중
- XLogP
- -1.5
- 극성 표면적
- 203 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 989
물리화학적 성질
- 끓는 점
- 843.4 · 843.4±65.0 °C(Predicted)
- 밀도
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.77 · 12.77±0.60(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
관련 반응
0건
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