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기본 정보
- CAS
124554-16-1- 표준 SMILES
C=CC[C@H]1C=C(C)C[C@@H](C)C[C@@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](C(C)=C[C@@H]3CC[C@@H](OC)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC- InChIKey
IMAXYWYQSRHDMG-RGSPJBABSA-N- 분자식
- C45H71NO12
- 평균 분자량
- 818.058 g/mol
- 단동위원소 질량
- 817.49762671
이름 및 식별자
- 우선 이름
- (1R,9S,12S,13R,14S,17S,21R,23R,24R,25S,27R)-12-[1-[(1R,3R,4R)-3,4-dimethoxycyclohexyl]prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
- IUPAC
- (3S,4R,5S,8S,12R,14R,15R,16S,18R,19R,26aS)-3-{1-[(1R,3R,4R)-3,4-Dimethoxycyclohexyl]prop-1-en-2-yl}-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone
- 현지명
- FK-5063'-메틸에테르
- 영어명
- FK-506 3’-Methyl Ether
- 분자식
- C45H71NO12
- 분자량
- 818.05
이름 및 동의어
FK-5063'-메틸에테르FK-506 3’-Methyl EtherTacrolimus Methyl Ether3-[2-(3,4-DiMethoxycyclohexyl)-1-Methylethenyl]-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-diMethoxy-4,10,12,18-tetraMethyl-8-(2-propen-1-yl)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-[(1E)-2-[(1R,3R,4R)-3,4-dimethoxycyclohexyl]-1-methylethenyl]-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-, (3S,4R,5S,8R,9E,12S,1...15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-[(1E)-2-[(1R,3R,4R)-3,4-dimethoxycyclohexyl]-1-methylethenyl]-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-
물성
물리화학적 성질
- 녹는점
- 82 °C · >82°C (dec.)
- 끓는 점
- 859.398 · 859.398±75.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.172 · 1.172±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 9.966 · 9.966±0.70(predicted)
- 색상
- 회백색
- 안정성
- 감광성
화학 및 산업
공급사8 곳
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上海陶素生化科技有限公司021-33632979 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
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艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
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