기본 정보
- CAS
24916-50-5- 표준 SMILES
COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1O- InChIKey
ACTOXUHEUCPTEW-UHFFFAOYSA-N- 분자식
- C43H74N2O14
- 평균 분자량
- 843.1 g/mol
- 단동위원소 질량
- 842.51400504
이름 및 식별자
- 우선 이름
- 2-[6-[5-(4,5-Dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
- IUPAC
- 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
- 현지명
- 스피라마이신
- 영어명
- SPIRAMYCIN I
- 분자식
- C43H74N2O14
- 분자량
- 843.05
이름 및 동의어
C43H74N2O14MFCD013145452-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehydeorb1310264orb3025086SCHEMBL29589087s4082s5744spiramycin (undefined stereochemistry)Q130230332-[6-[5-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde스피라마이신
이름 더 보기
스피라미신ISPIRAMYCIN ISpiramycin AForomacidin AForomacidine ASpiramycin I (>90%)SPIRAMYCIN I STANDARDdemycarosylturimycin HSpiramycin Impurity 9(Spiramycin I)Spiramycin I (contains 6% Spiramycin III)Spiramycin I (Contains up to 6% Spiramycin III)
데이터베이스 식별자
- CAS
24916-50-5、8025-81-8- PubChem CID
- 5266
- EC Number
- 232-429-6
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 195 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 1,370
물리화학적 성질
- 녹는점
- 134 · 134-1370C
- 끓는 점
- 913.7 · 913.7±65.0 °C(Predicted)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 용해도
- DMSO(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.06 · 13.06±0.70(Predicted)
- 색상
- 흰색에서 황백색까지
- 안정성
- 습기에 민감하고 온도에 민감함
화학적 성질
Crystalline Solid
화학 및 산업
공급사41 곳
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추가 설명
정의ChEBI: A macrolide antibiotic produced by various Streptomyces species that is used to treat toxoplasmosis and various other infections of soft tissues.
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