Teichomycin RS-1
기본 정보
- CAS
122068-02-4- 표준 SMILES
CC(=O)N[C@H]1[C@H](O[C@@H]2c3ccc(c(Cl)c3)Oc3cc4cc(c3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)C[C@H]3NC(=O)[C@H](N)c5ccc(O)c(c5)Oc5cc(O)cc(c5)[C@H](NC3=O)C(=O)N[C@H]4C(=O)N[C@H]3C(=O)N[C@@H]2C(=O)N[C@H](C(=O)O)c2cc(O)cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c2-c2cc3ccc2O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
ASGPRASCWJNSDL-FVXXRXPXSA-N- 분자식
- C90H101Cl2N9O33
- 평균 분자량
- 1,907.7 g/mol
이름 및 식별자
- 우선 이름
- Teichomycin RS-1
- IUPAC
- (1S,2R,19R,22R,34S,37R,40R,52S)-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-amino-5,15-dichloro-64-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(10-methylundecanoylamino)oxan-2-yl]oxy-26,31,44,49-tetrahydroxy-21,35,38,54,56,59-hexaoxo-47-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
- 영어명
- Ristomycin A aglycone, 34-O-2-(acetylamino)-2-deoxy-.beta.-D-glucopyranosyl-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-2-deoxy-2-(10-methyl-1-oxoundecyl)amino-.beta.-D-glucopyranosyl-42-O-.alpha.-D-mannopyranosyl-
- 분자식
- C90H101Cl2N9O33
- 분자량
- 1907.73
이름 및 동의어
Teichomycin RS-1DTXSID10872371Ristomycin A aglycone, 34-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-[2-deoxy-2-[(10-methyl-1-oxoundecyl)amino]-β-D-glucopyranosyl]-42-O-α-D-mannopyranosyl- (9CI)Ristomycin A aglycone, 34-O-2-(acetylamino)-2-deoxy-.beta.-D-glucopyranosyl-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-2-deoxy-2-(10-methyl-1-oxoundecyl)amino-.beta.-D-glucopyranosyl-42-O-.alpha.-D-mannopyranosyl-
데이터베이스 식별자
- CAS
122068-02-4
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 662 Ų
- 수소 결합 공여자 수
- 24
- 수소 결합 수용자 수
- 34
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 134
- 형식 전하
- 0
- 복잡도
- 3,980
물리화학적 성질
- 밀도
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.88 · 2.88±0.40(Predicted)
관련 반응
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