1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

HCID 2734287

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 125971-94-0
표준 SMILES: CC(C)(C)OC(=O)C[C@H]1C[C@@H](CC#N)OC(C)(C)O1
InChIKey: DPNRMEJBKMQHMC-GHMZBOCLSA-N
분자식: C14H23NO4
평균 분자량: 269.34 g/mol
단동위원소 질량: 269.16270822

개요

See other relationships...

이름 및 식별자

우선 이름: 1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
IUPAC: tert-butyl 2-[(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
영어명: (4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
분자식: C14H23NO4
분자량: 269.34

이름 및 동의어

1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetateRefChem:410010125971-94-0(4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetatetert-Butyl (4R,6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetatetert-Butyl 2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetateMFCD03093958tert-butyl 2-[(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetateUW4BC1SFB01357600-18-01,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-(4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester

이름 더 보기

(4R,CIS)-1,1-DIMETHYLETHYL-6-CYANOMETHYL-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE(4R-CIS)-1,1-DIMETHYLETHYL-6-CYANOMETHYL-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE (ATS-8)(4R,6R)-tert-Butyl-6Atorvastatin calcium-11Ats-8(For Atorvastatin)Atorvastatin Impurity 63(4R,6R)-Tert-Butyl-6-Cyanometh

(6R-Cyanomethyl-2,2-dimethyl-(1,3)dioxan-4R-yl)acetic acid tert-butyl ester(4r-cis)-1, 1-dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetateATS-81,1-Dimethylethyl 2-[(4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate(4R,6R)-t-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate(4R-Cis)-1,1-Dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetateAtorvastatin Impurity 7UNII-UW4BC1SFB0

데이터베이스 식별자

CAS: 125971-94-0
PubChem CID: 2734287
DTXSID: DTXSID60370195
UNII: UW4BC1SFB0
EC Number: 603-105-5
Nikkaji: J867.338A

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 68.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 375

물리화학적 성질

녹는점: 65 · 65-69 °C(lit.)
끓는 점: 364.1 · 364.1±17.0 °C(Predicted)
밀도: 1.016 · 1.016±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 클로로포름에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C14H23NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6,8-9H2,1-5H3/t10-,11-/m1/s1
InChIKey: DPNRMEJBKMQHMC-GHMZBOCLSA-N
SMILES: O1[C@H](CC#N)C[C@H](CC(OC(C)(C)C)=O)OC1(C)C