(2R,3R,4R,5R)-2-(2-amino-6-chloro-9H-purin-9-yl)-5-((benzoyloxy)methyl)-3-methyltetrahydrofuran-3,4-diyl dibenzoate

HCID 58730438
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기본 정보

표준 SMILES
C[C@@]1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c(Cl)nc(N)nc21
InChIKey
HHGHJWFDGDHDSS-ZLZVUVTQSA-N
분자식
C32H26ClN5O7
평균 분자량
628 g/mol
단동위원소 질량
627.1520759

이름 및 식별자

우선 이름
(2R,3R,4R,5R)-2-(2-amino-6-chloro-9H-purin-9-yl)-5-((benzoyloxy)methyl)-3-methyltetrahydrofuran-3,4-diyl dibenzoate
IUPAC
[(2R,3R,4R,5R)-5-(2-amino-6-chloropurin-9-yl)-3,4-dibenzoyloxy-4-methyloxolan-2-yl]methyl benzoate

이름 및 동의어

641571-44-0(2R,3R,4R,5R)-2-(2-amino-6-chloro-9H-purin-9-yl)-5-((benzoyloxy)methyl)-3-methyltetrahydrofuran-3,4-diyl dibenzoateMFCD25542504[(2R,3R,4R,5R)-5-(2-amino-6-chloropurin-9-yl)-3,4-dibenzoyloxy-4-methyloxolan-2-yl]methyl benzoate2-Amino-6-chloro-9-(2,3,5-tri-O-benzoyl-2-C-methyl-beta-D-ribofuranosyl)-9H-purineC32H26ClN5O7SCHEMBL722528orb1908224SCHEMBL29722541TNU0773HHGHJWFDGDHDSS-ZLZVUVTQSA-NAKOS027339996
이름 더 보기
AS-74097DA-601022-C-Methyl-beta-D-ribofuranosyl)]-9H-purineF129272-Amino-6-chloro-9-[(2,3,5-tri-O-benzoyl-2-amino-6-chloro-9-(2,3,5-tri-o-benzoyl-2-c-methyl-beta-d-ribofuranosyl)purine2-Amino-6-chloro-9-[(2,3,5-tri-O-benzoyl-2-C-methyl-??-D-ribofuranosyl)]-9H-purine(2R,3R,4R,5R)-2-(2-amino-6-chloro-9H-purin-9-yl)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]-3-methyloxolan-3-yl benzoate

데이터베이스 식별자

PubChem CID
58730438

물성

구조 계산 물성

XLogP
5.4
극성 표면적
158 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
11
회전 가능 결합 수
11
무거운 원자 수
45

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