기본 정보
- 표준 SMILES
COCCCOc1cc(C(O)[C@@H](C[C@H](N=[N+]=[N-])[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OCCCOCc1ccccc1- InChIKey
KIOSBEAXGYLOIF-QXFTZXDVSA-N- 분자식
- C34H49N3O7
- 평균 분자량
- 611.8 g/mol
이름 및 식별자
- 우선 이름
- 3(S)-Isopropyl-5(S)-{1(S)-azido-3(S)-isopropyl-4(R,S)-hydroxy-4-(4-(3-benzyloxy-propyloxy)-3-(3-methoxypropyloxy)phenyl]-butyl}-tetrahydrofuran-2-one
- IUPAC
- (3S,5S)-5-[(1S,3S)-1-azido-3-[hydroxy-[3-(3-methoxypropoxy)-4-(3-phenylmethoxypropoxy)phenyl]methyl]-4-methylpentyl]-3-propan-2-yloxolan-2-one
이름 및 동의어
KIOSBEAXGYLOIF-QXFTZXDVSA-N3(S)-Isopropyl-5(S)-{1(S)-azido-3(S)-isopropyl-4(R,S)-hydroxy-4-(4-(3-benzyloxy-propyloxy)-3-(3-methoxypropyloxy)phenyl]-butyl}-tetrahydrofuran-2-one3(S)-Isopropyl-5(S)-{1(S)-azido-3(S)-isopropyl-4(R,S)-hydroxy-4-[4-(3-benzyloxy-propyloxy)-3-(3-methoxypropyloxy)-phenyl]-butyl}-tetrahydrofuran-2-on3(S)-Isopropyl-5(S)-{1(S)-azido-3(S)-isopropyl-4(R,S)-hydroxy-4-[4-(3-benzyloxy-propyloxy)-3-(3-methoxypropyloxy)-phenyl]-butyl}-tetrahydrofuran-2-one3(s)-isopropyl-5(s)-{1(s)-azido-3(s)-isopropyl-4(r,s)-hydroxy-4-[4-(3-benzyloxypropyloxy)-3-(3-methoxypropyloxy)-phenyl]-butyl}-tetrahydrofuran-2-one
데이터베이스 식별자
- PubChem CID
- 131719574
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 97.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 862
관련 반응
10건
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