9,14-Deepoxy-15-deoxo-14-deoxy-9,15-epoxy-15-hydroxy-14-oxorapamycin
기본 정보
- CAS
150821-39-9- 표준 SMILES
CO[C@H]1C[C@@H]2CC[C@@H](C)C(=O)C(O)(O2)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C- InChIKey
PZJRKKHZEUDQHR-XASJUNOOSA-N- 분자식
- C51H79NO13
- 평균 분자량
- 914.2 g/mol
- 단동위원소 질량
- 913.55514157
이름 및 식별자
- 우선 이름
- 9,14-Deepoxy-15-deoxo-14-deoxy-9,15-epoxy-15-hydroxy-14-oxorapamycin
- IUPAC
- (8S,11S,14R,15E,17R,18R,20R,22S,23E,25E,27E,29S,31S,34R)-1,17-dihydroxy-11-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,36-dioxa-3-azatricyclo[29.4.1.03,8]hexatriaconta-15,23,25,27-tetraene-2,9,13,19,35-pentone
- 영어명
- Rapamycin Impurity 2
- 분자식
- C51H79NO13
- 분자량
- 914.19
이름 및 동의어
150821-39-99,14-Deepoxy-15-deoxo-14-deoxy-9,15-epoxy-15-hydroxy-14-oxorapamycin9,14-Deepoxy-15-deoxo-14-deoxy-9,15-epoxy-15-hydroxy-14-oxorapamycin (>80%)Sirolimus Impurity 7DTXSID301160363(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,34aS)-9,28-dihydroxy-3-((R)-1-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)propan-2-yl)-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-3,4,9,10,13,14,21,22,23,24,25,26,32,33,34,34a-hexadecahydro-5H-23,28-epoxypyri(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,34aS)-9,28-Dihydroxy-3-{1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,13,14,21,22,23,24,25,26,32,33,34,34a-tetradecahydro-3H-23,28-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,27,29(4H,6H,12H,28H,31H)-pentoneRapamycin isomersSIROLIMUS ISOMER C (RAPAMYCIN ISOMER C))Rapamycin, 9,14-deepoxy-15-deoxo-14-deoxy-9,15-epoxy-15-hydroxy-14-oxo-
데이터베이스 식별자
- CAS
150821-39-9
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 195 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,760
물리화학적 성질
- 녹는점
- 90 °C · >90°C (dec.)
- 끓는 점
- 997.9 · 997.9±65.0 °C(Predicted)
- 밀도
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- 용해도
- 디클로로메탄(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 9.4 · 9.40±0.70(Predicted)
- 색상
- 옅은 노랑
- InChIKey
- PZJRKKHZEUDQHR-UNCTVSBUNA-N
화학 및 산업
응용 분야
용도9,14-Deepoxy-15-deoxo-14-deoxy-9,15-epoxy-15-hydroxy-14-oxorapamycin can be prepared as an immunosuppressant.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…