기본 정보
- CAS
220241-60-1- 표준 SMILES
CCCSc1nc(Cl)c(N)c(N[C@@H]2C[C@H](O)[C@H]3OC(C)(C)O[C@H]32)n1- InChIKey
ZFIOCHSHJADREN-YKDSUIRESA-N- 분자식
- C15H23ClN4O3S
- 평균 분자량
- 374.9 g/mol
- 단동위원소 질량
- 374.1179395
이름 및 식별자
- 우선 이름
- (3aR,4S,6R,6aS)-6-((5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
- IUPAC
- (3aR,4S,6R,6aS)-6-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
- 영어명
- (3aR,4S,6R,6aS)-6-[[5-Amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-ol
- 분자식
- C15H23ClN4O3S
- 분자량
- 374.89
이름 및 동의어
220241-60-1(3aR,4S,6R,6aS)-6-((5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol(3aR,4S,6R,6aS)-6-[[5-Amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-ol(3aR,4S,6R,6aS)-6-{[5-amino-6-chloro-2-(propylsulfanyl)pyrimidin-4-yl]amino}-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-ol(3aR,4S,6R,6aS)-6-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-olAMALCINAC15H23ClN4O3SMFCD26967982TEGRELLO impurity TAG-05 reference substance8L6MLA84D5SCHEMBL1509193CS-M2237
이름 더 보기
AKOS037647877AS-75129F7895874H-Cyclopenta-1,3-dioxol-4-ol, 6-[[5-amino-6-chloro-2-(propy...(3aR,4S,6R,6aS)-6-((5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl)amino)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-ol(3aR,4S,6R,6aS)-6-[(5-amino-6-chloro-2-propylsulfanyl-pyrimidin-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol(3aR,4S,6R,6as)-6-[[5-amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol4H-Cyclopenta-1,3-dioxol-4-ol, 6-[[5-aMino-6-chloro-2-(propylthio)-4-pyriMidinyl]aMino]tetrahydro-2,2-d iMethyl-, (3aR,4S,6R,6aS)-
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 447
물리화학적 성질
- 끓는 점
- 567.9 · 567.9±50.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3 (20 ºC 760 Torr)
- 산도 계수 (pKa)
- 13.86 · 13.86±0.60(Predicted)
화학 및 산업
공급사31 곳
天津始加生物医药科技有限公司15022261580 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
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