2H-1,3-Dazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-((3-hydroxyphenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
기본 정보
- CAS
167824-58-0- 표준 SMILES
O=C1N(CCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(O)c1- InChIKey
QVLACFTWGMNBKP-XAZDILKDSA-N- 분자식
- C31H38N2O5
- 평균 분자량
- 518.6 g/mol
- 단동위원소 질량
- 518.27807232
이름 및 식별자
- 우선 이름
- 2H-1,3-Dazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-((3-hydroxyphenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-(5-hydroxypentyl)-3-[(3-hydroxyphenyl)methyl]-1,3-diazepan-2-one
이름 및 동의어
167824-58-0CHEMBL287422H-1,3-Dazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-((3-hydroxyphenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-(5-hydroxypentyl)-3-[(3-hydroxyphenyl)methyl]-1,3-diazepan-2-one2H-1,3-Dazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-[(3-hydroxyphenyl)methyl]-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-DTXSID90168385BDBM50289443(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydroxy-benzyl)-3-(5-hydroxy-pentyl)-[1,3]diazepan-2-one
데이터베이스 식별자
- CAS
167824-58-0- PubChem CID
- 3009317
- DTXSID
DTXSID90168385- ChEMBL
CHEMBL28742
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 696
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