O-Benzoyllamivudine (HCID 10903732)

기본 정보

표준 SMILES: Nc1ccn([C@@H]2CS[C@H](COC(=O)c3ccccc3)O2)c(=O)n1
InChIKey: SWOOIHFMFZUHOC-QWHCGFSZSA-N
분자식: C15H15N3O4S
평균 분자량: 333.4 g/mol
단동위원소 질량: 333.07832714

이름 및 식별자

우선 이름: O-Benzoyllamivudine
IUPAC: [(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl benzoate

이름 및 동의어

O-Benzoyllamivudine143957-12-4((2R,5S)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl benzoate[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl benzoateO-Benzoyllamivudine; 2(1H)-Pyrimidinone, 4-amino-1-[(2R,5S)-2-[(benzoyloxy)methyl]-1,3-oxathiolan-5-yl]- (9CI); 1,3-Oxathiolane, 2(1H)-pyrimidinone deriv. (ZCI); 2(1H)-Pyrimidinone, 4-amino-1-[2-[(benzoyloxy)methyl]-1,3-oxathiolan-5-yl]-, (2R-cis)- (ZCI)starbld0004864SCHEMBL6450341[(2R,5S)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl benzoateSWOOIHFMFZUHOC-QWHCGFSZSA-N(+/-)-(cis)-4-Amino-1-(2-benzoyloxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one(cis)-4-amino-1-(2-benzoyloxymethyl-1,3-oxathiolan-5-yl)(1H)-pyrimidin-2-one(cis)-4-amino-1-(2-benzoyloxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one

데이터베이스 식별자

PubChem CID: 10903732

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 120 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 23
형식 전하: 0
복잡도: 531

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