4-Hydroxybaumycinol A1
기본 정보
- CAS
78366-45-7- 표준 SMILES
CC(O)CC(OC(C)CO)OC1C(N)CC(OC2CC(O)(C(C)O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)OC1C- InChIKey
QSLSPJFMOXHLJX-UHFFFAOYSA-N- 분자식
- C33H43NO13
- 평균 분자량
- 661.7 g/mol
이름 및 식별자
- 우선 이름
- 4-Hydroxybaumycinol A1
- IUPAC
- 7-[4-amino-5-[3-hydroxy-1-(1-hydroxypropan-2-yloxy)butoxy]-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-9-(1-hydroxyethyl)-8,10-dihydro-7H-tetracene-5,12-dione
- 영어명
- 10-[[3-Amino-4-O-[3-hydroxy-1-(2-hydroxy-1-methylethoxy)butyl]-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-8-(1-hydroxyethyl)-5,12-naphthacenedione
- 분자식
- C33H43NO13
- 분자량
- 661.7
이름 및 동의어
4-Hydroxybaumycinol A14-Hydroxybaumycinol A27-[4-amino-5-[3-hydroxy-1-(1-hydroxypropan-2-yloxy)butoxy]-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-9-(1-hydroxyethyl)-8,10-dihydro-7H-tetracene-5,12-dione78919-31-0Antibiotic FA 1180B10-((3-Amino-2,3,6-trideoxy-4-O-(3-hydroxy-1-(2-hydroxy-1-methylethoxy)butyl)-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-8-(1-hydroxyethyl)-5,12-naphthacenedioneBaumycinol A1, 4-hydroxy-Baumycinol A2, 4-hydroxy-78962-31-9orb3024377NIOSH/CR5690000DTXSID20999700
이름 더 보기
Rubeomycin B1Antibiotic FA-1180BAntibiotic FA-1180B17-[(2R,4S,5S,6S)-4-amino-5-[3-hydroxy-1-(1-hydroxypropan-2-yloxy)butoxy]-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-9-(1-hydroxyethyl)-8,10-dihydro-7H-tetracene-5,12-dione10-[[3-Amino-4-O-[3-hydroxy-1-(2-hydroxy-1-methylethoxy)butyl]-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-8-(1-hydroxyethyl)-5,12-naphthacenedione5,12-Naphthacenedione, 10-[[3-amino-2,3,6-trideoxy-4-O-[3-hydroxy-1-(2-hydroxy-1-methylethoxy)butyl]-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-8-(1-hydroxyethyl)- (9CI)
TN10544CR569000003,5,10,12-Tetrahydroxy-3-(1-hydroxyethyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-{3-hydroxy-1-[(1-hydroxypropan-2-yl)oxy]butyl}hexopyranoside
데이터베이스 식별자
- CAS
78366-45-7
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 239 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,110
물리화학적 성질
- 끓는 점
- 882.3 · 882.3±65.0 °C(Predicted)
- 밀도
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.48 · 6.48±0.60(Predicted)
관련 반응
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