기본 정보
- 표준 SMILES
Cc1cn([C@@H]2O[C@](CO)(COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O)c(=O)[nH]c1=O- InChIKey
UMKZDOQLPWHEEH-SWXWDQRWSA-N- 분자식
- C25H28N2O7
- 평균 분자량
- 468.5 g/mol
이름 및 식별자
- 우선 이름
- 1-((2R,3R,4S,5R)-4-(benzyloxy)-5-((benzyloxy)methyl)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
- IUPAC
- 1-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
이름 및 동의어
206055-57-41-((2R,3R,4S,5R)-4-(benzyloxy)-5-((benzyloxy)methyl)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dioneMFCD318038821-(3,5-Di-O-benzyl-4-C-(hydroxymethyl)-beta-D-ribofuranosyl)thymine1-[(2R,3R,4S,5R)-4-(Benzyloxy)-5-[(benzyloxy)methyl]-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dioneSCHEMBL1096297UMKZDOQLPWHEEH-SWXWDQRWSA-N1-[(2R,3R,4S,5R)-4-(benzyloxy)-5-[(benzyloxy)methyl]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneSY333347E719401-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
데이터베이스 식별자
- PubChem CID
- 11037985
- Nikkaji
- J1.018.001E
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 748
관련 반응
13건
화합물 노트
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