(2R,3R,4S,5S)-4-(benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-yl)-5-[(ethylamino)carbonyl]tetrahydro-3-furanyl benzoate

HCID 10189909

기본 정보

표준 SMILES
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Cl)nc(I)nc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
InChIKey
NUCGJOUXUIXGSN-ISJRUSPKSA-N
분자식
C26H21ClIN5O6
평균 분자량
661.8 g/mol

이름 및 식별자

우선 이름
(2R,3R,4S,5S)-4-(benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-yl)-5-[(ethylamino)carbonyl]tetrahydro-3-furanyl benzoate
IUPAC
[(2S,3S,4R,5R)-4-benzoyloxy-5-(6-chloro-2-iodopurin-9-yl)-2-(ethylcarbamoyl)oxolan-3-yl] benzoate

이름 및 동의어

SCHEMBL4379652NUCGJOUXUIXGSN-ISJRUSPKSA-N(2R,3 R,4S,5S)-4-(Benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-y)-5-[(ethylamino)carbonyl]-tetrahydro-3-furanyl benzoate(2R,3R,4S 5S)-4-(Benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-yl)-5-[(ethylamino)carbonyl]-tetrahydro-3-furanyl benzoate(2R,3R,4S,5S)-4-(benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-yi)-5-[(ethylamino)carbonyl]-tetrahydro-3-furanyl benzoate(2R,3R,4S,5S)-4-(Benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-yl)-5-[(ethylamino)carbonyl]-tetrahydro-3-furanyl benzoate(2R,3R,4S,5S)-4-(benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-yl)-5-[(ethylamino)carbonyl]tetrahydro-3-furanyl benzoate

데이터베이스 식별자

PubChem CID
10189909

물성

구조 계산 물성

XLogP
4.4
극성 표면적
135 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
9
무거운 원자 수
39

관련 반응

12건

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