아세틸뉴라미닉애씨드
N-Acetyl-Neuraminic Acid
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기본 정보
- CAS
131-48-6- 표준 SMILES
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(O)(C(=O)O)C[C@@H]1O- InChIKey
SQVRNKJHWKZAKO-LUWBGTNYSA-N- 분자식
- C11H19NO9
- 평균 분자량
- 309.27 g/mol
- 단동위원소 질량
- 309.10598118
개요
N-acetylneuraminic acid is an N-acylneuraminic acid where the N-acyl group is specified as acetyl. It has a role as an antioxidant, an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor, a mouse metabolite, a bacterial metabolite and a human metabolite. It is a conjugate acid of a N-acetylneuraminate.
이름 및 식별자
- 우선 이름
- N-Acetyl-Neuraminic Acid
- IUPAC
- (4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
- 현지명
- 아세틸뉴라미닉애씨드
- 영어명
- N-Acetylneuraminic acid
- 분자식
- C11H19NO9
- 분자량
- 309.27
이름 및 동의어
N-acetylneuraminic acidNeu5AcN-Acetyl-neuraminic acidAcidium aceneuramicum5-n-acetyl-neuraminic acidDTXSID4013771095-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acidAcid, SialicSNFG:Neu5AcN Acetylneuraminic AcidNeu5Ac (SNFG)Acid, N-Acetylneuraminic
이름 더 보기
아세틸뉴라미닉애씨드SIALIC ACIDNANNANAAcetylneuraminic acidNeuAcLACTAMINIC ACID(-)-N-ACETYLNEURAMINIC ACID(2S,4S,5R,6R)-5-AcetaMido-2,4-dihydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acidN-AcetyIneuraminic acid
GlyTouCan:G81533KYRefChem:1113556G81533KY5-(Acetylamino)-3,5-Dideoxy-D-glycero-D-galacto-2-nonulopyranosonic Acid5-(Acetylamino)-3,5-Dideoxy-D-glycero-D-galacto-non-2-nonulosonic Acid5-(Acetylamino)-3,5-Dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic AcidD-glycero-5-acetamido-3,5-dideoxy-D-galacto-Non-2-ulo-pyranosonic Acid2,4-dihydroxy-5-((1-hydroxyethylidene)amino)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid; 4,6,7,8,9-pentahydroxy-5-((1-hydroxyethylidene)amino)-2-oxononanoic acid
물성
구조 계산 물성보충 중
- XLogP
- -3.5
- 극성 표면적
- 177 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 403
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Monosaccharides and Derivatives
Physical DescriptionWhite crystals; [Sigma-Aldrich MSDS]
Collision Cross Section
168.6 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
163.8 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
물리화학적 성질
- 녹는점
- 184 · 184-186 °C
- 끓는 점
- 449.56 °C · 449.56°C (rough estimate)
- 밀도
- 1.358 · 1.3580 (rough estimate)
- 굴절률
- -32 ° · -32 ° (C=1, H2O)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 50 g/L · 50g/L(20°C)
- 산도 계수 (pKa)
- 2.41 · 2.41±0.54(Predicted)
- 물리적 상태
- 합성, 결정질
- 색상
- 흰색에서 황백색까지
- 생물학적 소스
- synthetic
- 수용성
- 50 g/L · 50g/L(20℃)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 78.6% (44 of 56) of all reports.
Warning
H319 (21.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 5 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Regulation (EC) No 258/1997
Neuraminic acid, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesEye Irrit. 2A (21.4%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29329970
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- F 고인화성물질
- 3-10-23
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
UsesAn N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. [ChemIDplus]
General Manufacturing InformationNeuraminic acid, N-acetyl-: ACTIVE
응용 분야
개요N-acetylneuraminic acid is an N-acyl derivative of neuraminic or acid amino sugar derivative, derived from N-acetylmannosamine and pyruvic acid. It is an important constituent of glycoproteins and glycolipids. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria.
관련 반응
36건
화합물 노트
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