기본 정보
- 표준 SMILES
O=S(=O)(O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
PRDZVHCOEWJPOB-IVMDWMLBSA-N- 분자식
- C6H13NO8S
- 평균 분자량
- 259.24 g/mol
- 단동위원소 질량
- 259.03618755
이름 및 식별자
- 우선 이름
- N-sulfo-D-glucosamine
- IUPAC
- [(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid
- 영어명
- N-Sulfo-glucosamine sodium salt
- 분자식
- C6H14NNaO8S
- 분자량
- 283.23
이름 및 동의어
N-sulfo-D-glucosamineCHEBI:167022-deoxy-2-sulfoamino-D-glucopyranoseRefChem:164232GlyTouCan:G41251HAG41251HAGlcNSGlucosamine-2-sulfate2-Deoxy-2-(sulfoamino)-D-glucopyranoseD-Glucosamine-2-sulfateSCHEMBL1542063DTXSID40959664
이름 더 보기
D-Glucosamine 2-sufate sodium saltD-GLUCOSAMINE SULFATE SODIUM CHLORIDED-GLUCOSAMINE 2-SULFATE SODIUM SALTD-GLUCOSAMINE 2-SULFATE SODIUMGlcN-2SGLCN-2S, NASODIUMSALT(6CI)glucosaMine sulfate (Na)D-GlucosaMine Sulfate 2KCIGLUCOSAMINE SULFATE (SODIUM)
PRDZVHCOEWJPOB-IVMDWMLBSA-N2-Deoxy-2-(sulfoamino)hexopyranoseBDBM50608272C01075Q27102034[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]sulfamic acid
데이터베이스 식별자
- CAS
38899-05-7- PubChem CID
- 453619
- DTXSID
DTXSID40959664- ChEBI
CHEBI:16702- Nikkaji
- J1.781.278E
물성
구조 계산 물성
- XLogP
- -2.4
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 326
물리화학적 성질
- 저장 조건
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 용해도
- DMSO에 용해됨
- InChI
- InChI=1/C6H13NO8S.Na.H/c8-1-3(7-16(13,14)15)5(11)6(12)4(10)2-9;;/h1,3-7,9-12H,2H2,(H,13,14,15);;/t3-,4+,5+,6+;;/s3
- InChIKey
- XWFHXUOTHFHRAS-IWNCBHIWNA-N
- SMILES
- [C@@H](C=O)(NS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H](O)CO.[NaH] |&1:0,8,10,12,r|
화학적 성질
powder
안전 및 규제
안전 데이터
- wgk
- 3
- HS 번호
- 29329990
화학 및 산업
응용 분야
개요N-Sulfo-glucosamine sodium salt is a synthetic, high purity carbohydrate with a custom synthesis. It is an oligosaccharide that is also a sugar and a saccharide. The methylation of it can be achieved by glycosylation or click modification. Click modification is the addition of a carbon atom to the molecule through the reaction with an electrophile, such as N-hydroxysuccinimide ester. This modification can be used to introduce fluorine atoms into the molecules, which can improve their solubility and stability. The product has shown anti-inflammatory activities in animal models, which may be due to its ability to inhibit prostaglandin synthesis.
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