2,2-Dimethyl-5-[2-(2,4,5-trifluoro-phenyl)-acetyl]-[1,3]dioxane-4,6-dione

HCID 49784075

기본 정보

CAS
1152439-73-0
표준 SMILES
CC1(C)OC(=O)C(C(=O)Cc2cc(F)c(F)cc2F)C(=O)O1
InChIKey
QQLYZNCMELOPFL-UHFFFAOYSA-N
분자식
C14H11F3O5
평균 분자량
316.23 g/mol
단동위원소 질량
316.05585793

이름 및 식별자

우선 이름
2,2-Dimethyl-5-[2-(2,4,5-trifluoro-phenyl)-acetyl]-[1,3]dioxane-4,6-dione
IUPAC
2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dione
영어명
2,2-DiMethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dione
분자식
C14H11F3O5
분자량
316.23

이름 및 동의어

1152439-73-0Sitagliptin Impurity 312,2-dimethyl-5-[2-(2,4,5-trifluoro-phenyl)-acetyl]-[1,3]dioxane-4,6-dione2,2-DIMETHYL-5-(2-(2,4,5-TRIFLUOROPHENYL)ACETYL)-1,3-DIOXANE-4,6-DIONEJF5Z8G7R4S2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dioneMFCD145256821,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(2-(2,4,5-trifluorophenyl)acetyl)-1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-Dioxane-4,6-dione, 5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-Dioxane-4,6-dione, 5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-2,2-Dimethyl-5-((1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-1,3-dioxane-4,6-dione
이름 더 보기
2,2-Dimethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4...2,2-DiMethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dione
2,2-Dimethyl-5-[[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-1,3-dioxane-4,6-dioneUNII-JF5Z8G7R4SSCHEMBL411648QQLYZNCMELOPFL-UHFFFAOYSA-N2,2-Dimethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxan-4,6-dione2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)-acetyl]-[1,3]dioxane-4,6-dione5-[2-(2,4,5-trifluorophenyl)-acetyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

데이터베이스 식별자

CAS
1152439-73-0
PubChem CID
49784075
UNII
JF5Z8G7R4S

물성

구조 계산 물성

XLogP
2.5
극성 표면적
69.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
3
무거운 원자 수
22

물리화학적 성질

끓는 점
490.2 · 490.2±45.0 °C(Predicted)
밀도
1.408 · 1.408±0.06 g/cm3(Predicted)
산도 계수 (pKa)
8.4 · 8.40±0.40(Predicted)

화학 및 산업

공급사8 곳

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东博洛达生物科技有限公司0531-68659041 · [email protected]

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8건

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