기본 정보
- CAS
13190-88-0- 표준 SMILES
O=C1CC(c2ccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)C2(O1)C(=O)OC(C(O)CO)C2O- InChIKey
PEIVIQZKNGNVAD-SFIQAGIZSA-N- 분자식
- C21H26O13
- 평균 분자량
- 486.4 g/mol
- 단동위원소 질량
- 486.13734088
이름 및 식별자
- 우선 이름
- Leucoglycodrin
- IUPAC
- 8-(1,2-dihydroxyethyl)-9-hydroxy-4-[4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,7-dioxaspiro[4.4]nonane-2,6-dione
- 영어명
- 4-[4-[(α-D-Glucopyranosyl)oxy]phenyl]-9-hydroxy-8-(1,2-dihydroxyethyl)-1,7-dioxaspiro[4.4]nonane-2,6-dione
- 분자식
- C21H26O13
- 분자량
- 486.42
이름 및 동의어
LeucoglycodrinLeucoglycodrin [MI]13190-88-00DPO7W95LSUNII-0DPO7W95LS1,7-Dioxaspiro(4.4)nonane-2,6-dione, 8-(1,2-dihydroxyethyl)-4-(4-(D-glucopyranosyloxy)phenyl)-9-hydroxy-8-(1,2-dihydroxyethyl)-9-hydroxy-4-[4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,7-dioxaspiro[4.4]nonane-2,6-dioneGlutaric acid, 3-(p-(D-glucopyranosyloxy)phenyl)-2-hydroxy-2-(1,2,3,4-tetrahydroxybutyl)-, di-gamma-lactone8-(1,2-dihydroxyethyl)-9-hydroxy-4-(4-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-1,7-dioxaspiro[4.4]nonane-2,6-dioneGLUTARIC ACID, 3-(P-(D-GLUCOPYRANOSYLOXY)PHENYL)-2-HYDROXY-2-(1,2,3,4-TETRAHYDROXYBUTYL)-, DI-.GAMMA.-LACTONE4-[4-[(α-D-Glucopyranosyl)oxy]phenyl]-9-hydroxy-8-(1,2-dihydroxyethyl)-1,7-dioxaspiro[4.4]nonane-2,6-dione1,7-Dioxaspiro[4.4]nonane-2,6-dione, 8-(1,2-dihydroxyethyl)-4-[4-(D-glucopyranosyloxy)phenyl]-9-hydroxy- (9CI)
데이터베이스 식별자
- CAS
13190-88-0- PubChem CID
- 20054956
- UNII
- 0DPO7W95LS
물성
구조 계산 물성
- XLogP
- -2.3
- 극성 표면적
- 213 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 755
물리화학적 성질
- 녹는점
- 220 · 220-222 °C
- 끓는 점
- 917.2 · 917.2±65.0 °C(Predicted)
- 밀도
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.77 · 11.77±0.60(Predicted)
화학 및 산업
공급사1 곳
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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