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기본 정보
- CAS
76463-92-8- 표준 SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1ccccc1C3=O- InChIKey
KXRPCMRUNHOYFX-XPBCLHBESA-N- 분자식
- C42H53NO15
- 평균 분자량
- 811.878 g/mol
- 단동위원소 질량
- 811.34152
이름 및 식별자
- 우선 이름
- Methyl 2-ethyl-2,5,12-trihydroxy-6,11-dioxo-4-({2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylatato(2-)
- IUPAC
- Methyl (1R,2R,4S)-2-ethyl-2,5,12-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxooxan-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylatato(2-)
- 영어명
- methyl (1R,2R,4S)-4-[(2S,4S,5S,6S)-4-dimethylamino-5-[(2S,4S,5R,6S)-4- hydroxy-6-methyl-5-[(2S,6S)-6-methyl-5-oxo-oxan-2-yl]oxy-oxan-2-yl]oxy -6-methyl-oxan-2-yl]oxy-2-ethyl-2,5,12-trihydroxy-6,11-dioxo-3,4-dihyd ro-1H-tetracene-1-carboxylate
- 분자식
- C42H53NO15
- 분자량
- 811.87
이름 및 동의어
methyl (1R,2R,4S)-4-[(2S,4S,5S,6S)-4-dimethylamino-5-[(2S,4S,5R,6S)-4- hydroxy-6-methyl-5-[(2S,6S)-6-methyl-5-oxo-oxan-2-yl]oxy-oxan-2-yl]oxy -6-methyl-oxan-2-yl]oxy-2-ethyl-2,5,12-trihydroxy-6,11-dioxo-3,4-dihyd ro-1H-tetracene-1-carboxylate
데이터베이스 식별자
- CAS
76463-92-8- PubChem CID
- 3059436
- DTXSID
DTXSID20997847
물성
물리화학적 성질
- 끓는 점
- 866.518 · 866.518±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.425 · 1.425±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 7.717 · 7.717±0.70(predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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