기본 정보
- CAS
79886-50-3- 표준 SMILES
O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O)c1cc(O)c(O)c(O)c1- InChIKey
RATQVALKDAUZBW-XPMKZLBQSA-N- 분자식
- C34H28O22
- 평균 분자량
- 788.6 g/mol
- 단동위원소 질량
- 788.10722252
개요
1,2,3,6-tetrakis-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having four galloyl groups in the 1-, 2-, 3- and 6-positions. It is a galloyl beta-D-glucose and a gallate ester.
이름 및 식별자
- 우선 이름
- 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose
- IUPAC
- [(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
- 현지명
- 1,2,3,6-테트라갈로일글루코스
- 영어명
- 1,2,3,6-tetragalloylglucose
- 분자식
- C34H28O22
- 분자량
- 788.58
이름 및 동의어
1,2,3,6-Tetragalloylglucose79886-50-31,2,3,6-Tetrakis-O-galloyl-beta-D-glucose1,2,3,6-Tetra-O-galloyl-beta-D-glucoseCHEBI:17527NP-0036861,2,3,6-Tgg[(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate4648S0G6991,2,3,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosebeta-D-Glucopyranose, 1,2,3,6-tetrakis(3,4,5-trihydroxybenzoate)((2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris((3,4,5-trihydroxybenzoyl)oxy)oxan-2-yl)methyl 3,4,5-trihydroxybenzoate
이름 더 보기
1,2,3,6-테트라갈로일글루코스1,2,3,6-Tetra-O-galloyl-β-D-glucose1,2,3,6-Tetra-O-galloyl-β-D-glucose1,2,3,6-Tetra-O-galloyl-D-glucose1,2,3,6-TETRA-ORTHO-GALLOYLGLUCOSE1,2,3,6-Tetragalloylglucose - [T94150]1,2,3,6-Tetra-O-galloy-β-D- glucopyranose
RefChem:44250TeGGCHEMBL4499471,2,3,6-Tetra-O-galloylglucose(2S,3R,4S,5R,6R)-5-Hydroxy-6-(((3,4,5-trihydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-2,3,4-triyl tris(3,4,5-trihydroxybenzoate)1,2,3,6-Tetra-O-galloyl-B-D-glucoseUNII-4648S0G6991,2,3,6-Tetragalloyl-beta-D-glucopyranose
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 377 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,340
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 198 · 198-200 °C
- 끓는 점
- 1240.8 · 1240.8±65.0 °C(Predicted)
- 밀도
- 2.02 · 2.02±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 8.37 · 8.37±0.15(Predicted)
- 색상
- White to off-white
- InChIKey
- RATQVALKDAUZBW-QAQOKRNJNA-N
화학 및 산업
공급사49 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
山东中图化工有限公司17864755731 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
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