6-Chloro-2-hydroxy-9-(2',3',5'-tri-O-acetyl-b-D-ribofuranosyl)purine (HCID 178476355)

기본 정보

표준 SMILES: CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(O)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey: UDPLUTIBYLKPII-SDBHATRESA-N
분자식: C16H17ClN4O8
평균 분자량: 428.8 g/mol
단동위원소 질량: 428.0734912

이름 및 식별자

우선 이름: 6-Chloro-2-hydroxy-9-(2',3',5'-tri-O-acetyl-b-D-ribofuranosyl)purine
IUPAC: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate

이름 및 동의어

161923-50-86-Chloro-2-hydroxy-9-(2',3',5'-tri-O-acetyl-b-D-ribofuranosyl)purine6-Chloro-2-hydroxy-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)purine[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(6-chloro-2-oxo-1H-purin-9(2H)-yl)tetrahydrofuran-3,4-diyl diacetateorb1907927SCHEMBL5492975TNU1077UDPLUTIBYLKPII-SDBHATRESA-N[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(6-chloro-2-oxo-2,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methyl acetateNC04527DA-70296

이름 더 보기

H633656-Chloro-2-hydroxy-9-(2',3',5'-tri-O-acetyl-?-D-ribofuranosyl)purine6-chloro-2-hydroxy-9-(2,3,5-tri-o-acetyl-beta-d-ribofuranosyl)-purine6-chloro-2-hydroxy-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)purine6-CHLORO-2-HYDROXY-9-(2,3,5-TRI-O-ACETYL)-BETA-D-RIBOFURANOSYL-9H-PURINE

데이터베이스 식별자

PubChem CID: 10094121

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 145 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 9
회전 가능 결합 수: 8
무거운 원자 수: 29
형식 전하: 0
복잡도: 854

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