Acetic acid (2R,3R,4R,5R)-3,4-diacetoxy-5-(6-chloro-2-iodo-purin-9-YL)-tetrahydro-furan-2-ylmethyl ester

HCID 482588

기본 정보

표준 SMILES
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(I)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
BYOJIJDSBSWKKE-SDBHATRESA-N
분자식
C16H16ClIN4O7
평균 분자량
538.7 g/mol

이름 및 식별자

우선 이름
Acetic acid (2R,3R,4R,5R)-3,4-diacetoxy-5-(6-chloro-2-iodo-purin-9-YL)-tetrahydro-furan-2-ylmethyl ester
IUPAC
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-iodopurin-9-yl)oxolan-2-yl]methyl acetate

이름 및 동의어

5987-76-86-Chloro-2-iodo-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)purineACETIC ACID (2R,3R,4R,5R)-3,4-DIACETOXY-5-(6-CHLORO-2-IODO-PURIN-9-YL)-TETRAHYDRO-FURAN-2-YLMETHYL ESTERMFCD03701153[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-iodopurin-9-yl)oxolan-2-yl]methyl acetate2',3',5'-Tri-O-acetyl-6-chloro-2-iodopurine Riboside6-Chloro-2-iodo-9-(2',3',5'-tri-O-acetyl-b-D-ribofuranosyl)purine(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-chloro-2-iodo-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate6-Chloro-2-iodo-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)purineC16H16ClIN4O76-Chloro-2-iodo-9-(2,3,5-tri-O-acetyl)-beta-D-ribofuranosyl-9H-purineorb1908123
이름 더 보기
SCHEMBL1120598TNU0879BYOJIJDSBSWKKE-SDBHATRESA-NAKOS015967379AS-7060NC16519[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(6-chloro-2-iodo-9H-purin-9-yl)oxolan-2-yl]methyl acetateDA-70297

데이터베이스 식별자

PubChem CID
482588
Nikkaji
J1.140.605J

물성

구조 계산 물성

XLogP
1.3
극성 표면적
132 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
10
회전 가능 결합 수
8
무거운 원자 수
29

관련 반응

25건

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