(1R,10S,12S,13R,21R,22S,23R,24R)-4,8,12,22,24-pentahydroxy-13-methoxycarbonyl-N,N,1,12-tetramethyl-6,17-dioxo-10-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-4,6-dimethyloxan-2-yl]oxy-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaen-23-amine oxide
기본 정보
- CAS
64457-65-4- 표준 SMILES
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC)[C@@](C)(OC)[C@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H]([N+](C)(C)[O-])[C@@H]1O- InChIKey
HOGCKQSCNDDSFJ-JYOBTZKQSA-N- 분자식
- C39H49NO17
- 평균 분자량
- 803.8 g/mol
- 단동위원소 질량
- 803.30004909
이름 및 식별자
- 우선 이름
- (1R,10S,12S,13R,21R,22S,23R,24R)-4,8,12,22,24-pentahydroxy-13-methoxycarbonyl-N,N,1,12-tetramethyl-6,17-dioxo-10-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-4,6-dimethyloxan-2-yl]oxy-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaen-23-amine oxide
- IUPAC
- (1R,10S,12S,13R,21R,22S,23R,24R)-4,8,12,22,24-pentahydroxy-13-methoxycarbonyl-N,N,1,12-tetramethyl-6,17-dioxo-10-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-4,6-dimethyloxan-2-yl]oxy-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaen-23-amine oxide
이름 및 동의어
64457-65-4DTXSID30983019(2R,3S,4R,5R,6R,11S,13S,14R)-11-[(6-Deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-3,5,8,10,13-pentahydroxy-14-(methoxycarbonyl)-N,N,6,13-tetramethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocin-4-amine N-oxide
데이터베이스 식별자
- CAS
64457-65-4- PubChem CID
- 101664683
- DTXSID
DTXSID30983019- Nikkaji
- J59.182C
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 244 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,580
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…