기본 정보
- CAS
483-60-3- 표준 SMILES
COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)OC2- InChIKey
HPNSFSBZBAHARI-UHFFFAOYSA-N- 분자식
- C17H20O6
- 평균 분자량
- 320.3 g/mol
- 단동위원소 질량
- 320.12598835
이름 및 식별자
- 우선 이름
- 6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid
- IUPAC
- 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
- 영어명
- 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methylhex-4-enoic acid
- 분자식
- C17H20O6
- 분자량
- 320.34
이름 및 동의어
RefChem:1073655483-60-36-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid(4Z)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic Acid;Spectrum_001978Mycophenolic acid powderPrestwick0_000556Prestwick1_000556Spectrum2_000892Spectrum3_000797Spectrum4_000890Oprea1_330442
이름 더 보기
HPNSFSBZBAHARI-WTKPLQERSA-NMycophenolic Acid (Z)-IsomerMycophenolate Impurity 12 ((Z)-Mycophenolic Acid)Mycophenolate Sodium EP Impurity B ((Z)-Mycophenolic Acid)(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methyl-4-hexenoic acid
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 485
물리화학적 성질
- 끓는 점
- 611.6 · 611.6±55.0 °C(Predicted)
- 밀도
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- 용해도
- DMSO(약간 용해됨), 메탄올(매우 소량)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4 · 4+-.0.10(Predicted)
- 색상
- 흰색에서 황백색까지
- 안정성
- 흡습성
화학 및 산업
용도 및 제조
Uses
Use (kg; approx.) in Germany (2009): ?2500；Use (kg; exact) in Germany (2009): 2530；Use (kg) in USA (2002): 17900；Consumption (g per capita; approx.) in Germany (2009): 0.0305；Consumption (g per capita; exact) in Germany (2009): 0.0309；Consumption (g per capita) in the USA (2002): 0.0635；Excretion rate: 1；Calculated removal (%): 99.4
공급사14 곳
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