기본 정보
- CAS
6835-00-3- 표준 SMILES
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](CO)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O- InChIKey
OFNXOACBUMGOPC-HZYVHMACSA-N- 분자식
- C21H39N7O13
- 평균 분자량
- 597.6 g/mol
- 단동위원소 질량
- 597.26058431
개요
5'-hydroxystreptomycin is a streptomycin bearing an additional hydroxy substituent at the 5'-position (on the furanose ring). It is functionally related to a streptomycin.
이름 및 식별자
- 우선 이름
- O-2-Deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1->2)-O-3-C-formyl-alpha-L-lyxofuranosyl-(1->4)-N1,N3-bis(aminoiminomethyl)-D-streptamine
- IUPAC
- 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
- 영어명
- N,N'-Bis(aminoiminomethyl)-4-O-[2-O-(2-deoxy-2-methylamino-α-L-glucopyranosyl)-3-C-formyl-α-L-lyxofuranosyl]-D-streptamine
- 분자식
- C21H39N7O13
- 분자량
- 597.57
이름 및 동의어
HydroxystreptomycinStreptomycin C6835-00-3QXR888I04O2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidineDTXSID20218483D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-3-C-formyl-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-oxystreptomycin2-((1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-((2R,3R,4R,5S)-3-((2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl)oxy-4-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy-2,5,6-trihydroxycyclohexyl)guanidineRefChem:928027DTXCID40140974O-2-Deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1->2)-O-3-C-formyl-alpha-L-lyxofuranosyl-(1->4)-N1,N3-bis(aminoiminomethyl)-D-streptamine
이름 더 보기
NA-232-NI
물성
구조 계산 물성
- XLogP
- -8.5
- 극성 표면적
- 357 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 957
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Antibiotics
물리화학적 성질
- 끓는 점
- 918.7 · 918.7±75.0 °C(Predicted)
- 밀도
- 2.04 · 2.04±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.24 · 11.24±0.70(Predicted)
화학 및 산업
공급사2 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
추가 설명
정의ChEBI: A streptomycin bearing an additional hydroxy substituent at the 5'-position (on the furanose ring)
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