기본 정보
- 표준 SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O- InChIKey
KFEUJDWYNGMDBV-LODBTCKLSA-N- 분자식
- C14H25NO11
- 평균 분자량
- 383.35 g/mol
- 단동위원소 질량
- 383.14276061
이름 및 식별자
- 우선 이름
- N-Acetyllactosamine
- IUPAC
- N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
- 현지명
- D-갈락토피라노실
- 영어명
- D-Galactopyranosyl
- 분자량
- 0
이름 및 동의어
N-acetyllactosamine32181-59-2CHEBI:16153beta-D-galactosyl-1,4-N-acetyl-D-glucosamineN-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamideN-((2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxan-3-yl)acetamideRefChem:162753GlyTouCan:G00055MOG00055MO3Y5B2K5OOKCHEMBL457432beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine
이름 더 보기
D-갈락토피라노실Azido 2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-&beta
N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamideD-galactopyranosyl3ehnGalb1-4GlcNAcbdelta-galactopyranosylGalbeta1-4GlcNAcbetaEpitope ID:130646betaGal(1->4)betaGlcNAc
데이터베이스 식별자
- CAS
18972-90-2、32181-59-2- PubChem CID
- 439271
- DTXSID
DTXSID10954045- ChEMBL
CHEMBL457432- ChEBI
CHEBI:16153- EC Number
- 636-520-5
- Nikkaji
- J972.480J
물성
구조 계산 물성
- XLogP
- -4.7
- 극성 표면적
- 198 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 480
실험 및 물리화학적 성질
Physical DescriptionSolid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 InformationD-Galactopyranosyl: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
규제 정보
Regulatory InformationD-Galactopyranosyl: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
약리 정보
Tissue LocationsEpidermis；Intestine；Spleen
Cellular LocationsCytoplasm
공급사1 곳
관련 반응
1건
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