Leucomycin A6 acetate
기본 정보
- CAS
22924-74-9- 표준 SMILES
CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(C)=O)[C@H](O[C@H]3[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@@H]3OC)O[C@@H]2C)C[C@@]1(C)O- InChIKey
CLROXSMRUGVWIT-WNWCIUCGSA-N- 분자식
- C44H69NO17
- 평균 분자량
- 884 g/mol
- 단동위원소 질량
- 883.45654973
이름 및 식별자
- 우선 이름
- Leucomycin A6 acetate
- IUPAC
- [(2S,3S,4R,6S)-6-[(2R,3S,4S,5R,6S)-5-acetyloxy-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-diacetyloxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate
이름 및 동의어
Leucomycin A6 acetateLeucomycin A7 acetateKitasamycin A6 acetateKitasamycin A7 acetateLeucomycin A7, triacetate (ester)02TX97A6C0Leucomycin V, 2(sup A),3,9-triacetate 4(sup b)-propanoate22924-74-9UNII-02TX97A6C0(3R,4R,5S,6R,8R,9R,10E,12E,15R)-3,9-Diacetoxy-5-(4-o-propanoyl-2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl-(1->4)-2-O-acetyl-3,6-dideoxy-3-dimethylamino-beta-D-glucopyranosyloxy)-6-formylmethyl-4-methoxy-8-methylhexadeca-10,12-dien-15-olideQ27231548(3R,4R,5S,6R,8R,9R,10E,12E,15R)-3,9-DIACETOXY-5-(4-O-PROPANOYL-2,6-DIDEOXY-3-C-METHYL-.ALPHA.-L-RIBO-HEXOPYRANOSYL-(1->4)-2-O-ACETYL-3,6-DIDEOXY-3-DIMETHYLAMINO-.BETA.-D-GLUCOPYRANOSYLOXY)-6-FORMYLMETHYL-4-METHOXY-8-METHYLHEXADECA-10,12-DIEN-15-OLIDE
이름 더 보기
(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-(((2S,3R,4S,5S,6R)-3-ACETOXY-4-(DIMETHYLAMINO)-5-(((2S,4R,5S,6S)-4-HYDROXY-4,6-DIMETHYL-5-(PROPIONYLOXY)TETRAHYDRO-2H-PYRAN-2-YL)OXY)-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL)OXY)-5-METHOXY-9,16-DIMETHYL-2-OXO-7-(2-OXOETHYL)OXACYCLOHEXADECA-11,13-DIENE-4,10-DIYL DIACETATE
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 218 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,570
관련 반응
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