기본 정보
- CAS
160219-88-5- 표준 SMILES
COC1CC(OC2C(C)OC(c3ccc4c(c3O)C(=O)c3c(cc(O)c5c(=O)cc(C6(C)OC6C)oc35)C4=O)CC2(C)N(C)C)OC(C)C1O- InChIKey
WVVDREBPCDZKDW-UHFFFAOYSA-N- 분자식
- C37H43NO12
- 평균 분자량
- 693.7 g/mol
- 단동위원소 질량
- 693.27852581
개요
Altromycin I is a glycoside and a benzochromenone.
이름 및 식별자
- 우선 이름
- Altromycin I
- IUPAC
- 10-[4-(dimethylamino)-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-5,11-dihydroxynaphtho[2,3-h]chromene-4,7,12-trione
- 현지명
- 알트로마이신I
- 영어명
- altromycin I
- 분자식
- C37H43NO12
- 분자량
- 693.75
이름 및 동의어
Altromycin I160219-88-510-[4-(dimethylamino)-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-5,11-dihydroxynaphtho[2,3-h]chromene-4,7,12-trione10-(4-(dimethylamino)-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyloxan-2-yl)-2-(2,3-dimethyloxiran-2-yl)-5,11-dihydroxynaphtho(2,3-h)chromene-4,7,12-trioneRefChem:111615DTXSID20936251CHEBI:1995081,5-Anhydro-2,3,6-trideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-(dimethylamino)-1-[2-(2,3-dimethyloxiran-2-yl)-5,11-dihydroxy-4,7,12-trioxo-7,12-dihydro-4H-anthra[1,2-b]pyran-10-yl]-3-methylhexitol4H-Anthra(1,2-b)pyran-4,7,12-trione, 2-(2,3-dimethyloxiranyl)-5,11-dihydroxy-10-(2,3,6-trideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-D-ribo-hexopyranosyl)-3-(dimethylamino)-3-C-methyl-alpha-D-lyxo-hexopyranosyl)-알트로마이신I4H-Anthra[1,2-b]pyran-4,7,12-trione, 2-(2,3-dimethyloxiranyl)-5,11-dihydroxy-10-[2,3,6-trideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-D-ribo-hexopyranosyl)-3-(dimethylamino)-3-C-methyl-α-L-lyxo-hexopyranosyl]- (9CI)
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 174 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,400
물리화학적 성질
- 끓는 점
- 813.6 · 813.6±65.0 °C(Predicted)
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.5 · 3.50±0.40(Predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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