N-아세틸-D-갈락토사민

N-acetyl-alpha-D-galactosamine

HCID 84265CAS 14215-68-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O
InChIKey
OVRNDRQMDRJTHS-CBQIKETKSA-N
분자식
C8H15NO6
평균 분자량
221.21 g/mol
단동위원소 질량
221.0899372

이름 및 식별자

우선 이름
N-acetyl-alpha-D-galactosamine
IUPAC
N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
현지명
N-아세틸-D-갈락토사민
영어명
2-Acetamido-2-deoxy-D-galactopyranose
분자식
C8H15NO6
분자량
221.21

이름 및 동의어

alpha-GalNAc14215-68-0N-acetyl-alpha-D-galactosaminealpha-N-Acetyl-D-galactosamineTN saccharidealpha-GalpNAcGalNAc-alphaTN antigen saccharidealpha-D-Galactopyranose, 2-(acetylamino)-2-deoxy-2-acetamido-2-deoxy-alpha-D-galactopyranoseTN saccharide component2-(acetylamino)-2-deoxy-alpha-D-galactopyranose
이름 더 보기
N-아세틸-D-갈락토사민N-ACETYL-D-GALACTOSAMINEN-((3R,4R,5R,6R)-2,4,5-Trihydroxy-6-(hydroxyMethyl)tetrahydro-2H-pyran-3-yl)acetaMideD-GALNAC2-ACETAMIDO-2-DEOXY-D-GALACTOPYRANOSEN-Acetyl-α-D-galactosamineAM-1ACETYLCHONDROSAMINEN-ACETYLCHONDROSAMINEACETYL-D-GALACTOSAMINE2-Acetyl-D-Galactosamine
TN antigen saccharide componentCHEBI:4035600C01APN10DTXSID70884733RefChem:828864GlyTouCan:G57321FIDTXCID401024160G57321FI

데이터베이스 식별자

CAS
14215-68-0、1811-31-0
PubChem CID
84265
DTXSID
DTXSID70884733
ChEMBL
CHEMBL1230702
ChEBI
CHEBI:40356
UNII
00C01APN10
EC Number
805-263-2
Nikkaji
J382.936G

물성

구조 계산 물성

XLogP
-1.7
극성 표면적
119 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
15

실험 및 물리화학적 성질

Melting Point172 - 173 °C
Physical DescriptionSolid
Collision Cross Section150.3 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；151.4 Ų [M+K]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

물리화학적 성질

녹는점
158 · 158-162 °C
끓는 점
362.26 °C · 362.26°C (rough estimate)
밀도
1.3572 · 1.3572 (rough estimate)
굴절률
85 ° · 85 ° (C=1, H2O)
저장 조건
2 · Sealed in dry,2-8°C
용해도
메탄올(약간, 초음파 처리), 물(약간)에 용해됨

화학적 성질

white to off-white fine crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H319 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.；There is 1 notification provided by 1 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information.alpha.-D-Galactopyranose, 2-(acetylamino)-2-deoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2A (33.3%)

규제 정보

Regulatory Information.alpha.-D-Galactopyranose, 2-(acetylamino)-2-deoxy-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29329990
hazard_code
Xi
safety_code
22-24/25
F 고인화성물질
3-10

화학 및 산업

약리 정보

Tissue LocationsAdipose Tissue；Brain；Epidermis；Intestine；Liver；Neuron；Pancreas；Placenta；Prostate；Skeletal Muscle；Spleen；Testis
Cellular LocationsGolgi apparatus；Lysosome

용도 및 제조

General Manufacturing Information.alpha.-D-Galactopyranose, 2-(acetylamino)-2-deoxy-: ACTIVE

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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