Methyl 5-O-Benzoyl-4-C-hydroxymethyl-2,3-O-isopropylidene-b-D-ribofuranoside
기본 정보
- CAS
327614-69-7- 표준 SMILES
CO[C@@H]1O[C@](CO)(COC(=O)c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12- InChIKey
NXDFPSJPNCUXHS-IARIHHJXSA-N- 분자식
- C17H22O7
- 평균 분자량
- 338.4 g/mol
- 단동위원소 질량
- 338.13655304
이름 및 식별자
- 우선 이름
- Methyl 5-O-Benzoyl-4-C-hydroxymethyl-2,3-O-isopropylidene-b-D-ribofuranoside
- IUPAC
- [(3aS,4R,6R,6aR)-4-(hydroxymethyl)-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate
- 영어명
- 5-O-Benzoyl-4-C-hydroxymethyl-2,3-O-isopropylidene-1-O-methyl-beta-D-ribofuranose
- 분자식
- C17H22O7
- 분자량
- 338.35238
이름 및 동의어
327614-69-7Methyl 5-O-Benzoyl-4-C-hydroxymethyl-2,3-O-isopropylidene-b-D-ribofuranosideorb1907809SCHEMBL5551824TNU1195DTXSID4011364925-O-Benzoyl-4-C-hydroxymethyl-2,3-O-isopropylidene-1-O-methyl-beta-D-ribofuranoseI+/--L-Lyxofuranoside, methyl 4-C-[(benzoyloxy)methyl]-2,3-O-(1-methylethylidene)-Methyl 4-[(benzoyloxy)methyl]-2,3-O-(1-methylethylidene)-alpha-L-lyxofuranoside[(3aS,4R,6R,6aR)-4-(hydroxymethyl)-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate5-O-benzoyl-4-C-hydroxymethyl-2,3-O-isopropylidene-1-O-methyl-β-D-ribofuranoseα-L-Lyxofuranoside, methyl 4-C-[(benzoyloxy)methyl]-2,3-O-(1-methylethylidene)- (9CI)
데이터베이스 식별자
- CAS
327614-69-7- PubChem CID
- 69484442
- DTXSID
DTXSID401136492
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 83.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 460
물리화학적 성질
- 끓는 점
- 450.2 · 450.2±45.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.14 · 14.14±0.10(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…