기본 정보
- CAS
100759-54-4- 표준 SMILES
CNC1C(OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1O- InChIKey
XIKSUQAETDPAAY-UHFFFAOYSA-N- 분자식
- C33H59N7O22
- 평균 분자량
- 905.9 g/mol
- 단동위원소 질량
- 905.37131654
개요
6'''-O-Mannopyranosyl mannosidostreptomycin has been reported in Streptomyces sioyaensis with data available.
이름 및 식별자
- 우선 이름
- 6'''-O-Mannopyranosyl mannosidostreptomycin
- IUPAC
- 2-[3-(diaminomethylideneamino)-4-[4-formyl-4-hydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
이름 및 동의어
6'''-O-Mannopyranosyl mannosidostreptomycin100759-54-46'''-Mpms2-[3-(diaminomethylideneamino)-4-[4-formyl-4-hydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine2-(3-(diaminomethylideneamino)-4-(4-formyl-4-hydroxy-3-(4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-(3,4,5-trihydroxy-6-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-5-methyloxolan-2-yl)oxy-2,5,6-trihydroxycyclohexyl)guanidineRefChem:103611DTXSID00905728N,N'-(4-{[Hexopyranosyl-(1->6)hexopyranosyl-(1->4)-2-deoxy-2-(methylamino)hexopyranosyl-(1->2)-5-deoxy-3-C-formylpentofuranosyl]oxy}-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine
데이터베이스 식별자
- CAS
100759-54-4- PubChem CID
- 196357
- DTXSID
DTXSID00905728
물성
구조 계산 물성
- XLogP
- -12.3
- 극성 표면적
- 495 Ų
- 수소 결합 공여자 수
- 18
- 수소 결합 수용자 수
- 25
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,540
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