기본 정보
- 표준 SMILES
CC1(C)OCC(C2OC(=O)C3OC(C)(C)OC32)O1- InChIKey
OFZPAXSEAVOAKB-UHFFFAOYSA-N- 분자식
- C12H18O6
- 평균 분자량
- 258.27 g/mol
이름 및 식별자
- 우선 이름
- 2,3:5,6-Di-O-isopropylidene-L-gulonolactone
- IUPAC
- 6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
이름 및 동의어
2,3:5,6-Di-O-isopropylidene-L-gulonolactone(3aS,6R,6aS)-6-((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-oneTimTec1_0065162,3:5,6-Di-O-isopropylidene-D-mannonic acid-1,4-lactoneSCHEMBL20056397HMS1552I04(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-oneSTK774392AKOS0056177816-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one6-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-dihydrofuro[3,4-d][1,3]dioxol-4-one6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-one
이름 더 보기
6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one (non-preferred name)
데이터베이스 식별자
- PubChem CID
- 568288
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 63.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 377
관련 반응
4건
연결된 노트
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