기본 정보
- CAS
127521-69-1- 표준 SMILES
CC[C@H]1OC(=O)CC[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO- InChIKey
IBYMOKAONAMZRG-AAUSAPTBSA-N- 분자식
- C31H51NO8
- 평균 분자량
- 565.7 g/mol
- 단동위원소 질량
- 565.36146759
이름 및 식별자
- 우선 이름
- 3,4'-Dideoxy-5O-mycaminosyltylonolide
- IUPAC
- 2-[(5S,6R,7R,9R,11E,13E,15R,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
- 영어명
- 2-[(2R,3R,4E,6E,9R,11R,12R,13S)-12-[(2S,3R,4S,6R)-4-dimethylamino-3-hy droxy-6-methyl-oxan-2-yl]oxy-2-ethyl-3-(hydroxymethyl)-5,9,13-trimethy l-8,16-dioxo-1-oxacyclohexadeca-4,6-dien-11-yl]acetaldehyde
- 분자식
- C31H51NO8
- 분자량
- 565.75
이름 및 동의어
3,4'-Dideoxymycaminosyltylonolide127521-69-13,4'-Dideoxy-5O-mycaminosyltylonolide3,4'-Dideoxymycaminosyl tylonolideMC 352MC-3523-Deoxy-5-O-(3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)tylonolideTylonolide, 3-deoxy-5-O-(3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)-2-[(5S,6R,7R,9R,11E,13E,15R,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehydeorb3173637CHEMBL3634307SCHEMBL31624999
이름 더 보기
Tylonolide, 3-deoxy-5-O-[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]- (9CI)2-[(2R,3R,4E,6E,9R,11R,12R,13S)-12-[(2S,3R,4S,6R)-4-dimethylamino-3-hy droxy-6-methyl-oxan-2-yl]oxy-2-ethyl-3-(hydroxymethyl)-5,9,13-trimethy l-8,16-dioxo-1-oxacyclohexadeca-4,6-dien-11-yl]acetaldehyde
DTXSID4013654452-[(2R,3R,4E,6E,9R,11R,12R,13S)-12-[(2S,3R,4S,6R)-4-dimethylamino-3-hy droxy-6-methyl-oxan-2-yl]oxy-
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 887
물리화학적 성질
- 끓는 점
- 733 · 733.0±60.0 °C(Predicted)
- 밀도
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.49 · 13.49±0.70(Predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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