기본 정보
- CAS
1447969-66-5- 표준 SMILES
COc1c(Cl)c(C)c(Cl)c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1Cl- InChIKey
QDJNFYQZJFPGQY-RENDGGBLSA-N- 분자식
- C20H27Cl3O12
- 평균 분자량
- 565.8 g/mol
이름 및 식별자
- 우선 이름
- 2,4,6-Trichlorol-3-methyl-5-methoxy-phenol 1-O-|A-d-glucopyranosyl-(1 inverted exclamation marku 6)-|A-d-glucopyranoside
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2,4,6-trichloro-3-methoxy-5-methylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
- 영어명
- 2,4,6-trichlorol-3-methyl-5-methoxyphenol-1-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside
- 분자식
- C20H27Cl3O12
- 분자량
- 565.78
이름 및 동의어
1447969-66-52,4,6-Trichlorol-3-methyl-5-methoxy-phenol 1-O-|A-d-glucopyranosyl-(1 inverted exclamation marku 6)-|A-d-glucopyranoside2,4,6-trichlorol-3-methyl-5-methoxyphenol-1-O-|A-D-glucopyranosyl-(1 inverted exclamation marku6)-|A-D-glucopyranoside2,4,6-trichlorol-3-methyl-5-methoxyphenol-1-O-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranoside2,4,6-trichlorol-3-methyl-5-methoxyphenol-1-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosideorb1984761HY-N8132AKOS040756820FS-7336CS-0140179E88968T38929
이름 더 보기
β-D-Glucopyranoside, 2,4,6-trichloro-3-methoxy-5-methylphenyl 6-O-β-D-glucopyranosyl-2,4,6-trichlorol-3-methyl-5-methoxyphenol-1-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2,4,6-trichloro-3-methoxy-5-methylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol2,4,6-Trichlorol-3-methyl-5-methoxy-phenol 1-O-??-d-glucopyranosyl-(1 ?? 6)-??-d-glucopyranoside2,4,6-Trichlorol-3-methyl-5-methoxy-phenol 1-O-beta-d-glucopyranosyl-(1 --> 6)-beta-d-glucopyranoside2,4,6-TRICHLOROL-3-METHYL-5-METHOXY-PHENOL 1-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 188 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 681
물리화학적 성질
- 끓는 점
- 798.1 · 798.1±60.0 °C(Predicted)
- 밀도
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.61 · 12.61±0.70(Predicted)
화학 및 산업
공급사9 곳
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
南京狄尔格医药科技有限公司025-025-51191215 18013836722 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
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