락토-N-헥사오스
O-beta-delta-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-[O-beta-delta-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->6)]-O-beta-delta-galactopyranosyl-(1->4)-D-Glucose
기본 정보
- CAS
64003-51-6- 표준 SMILES
CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)[C@H](O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)C2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O- InChIKey
ZDZMLVPSYYRJNI-VHFVHBOSSA-N- 분자식
- C40H68N2O31
- 평균 분자량
- 1,073 g/mol
- 단동위원소 질량
- 1,072.38060337
이름 및 식별자
- 우선 이름
- O-beta-delta-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-[O-beta-delta-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->6)]-O-beta-delta-galactopyranosyl-(1->4)-D-Glucose
- IUPAC
- N-[(2R,3R,4R,5S,6R)-2-[[(2R,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
- 현지명
- 락토-N-헥사오스
- 영어명
- Lacto-N-hexaose
- 분자식
- C40H68N2O31
- 분자량
- 1072.96
이름 및 동의어
O-beta-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-[O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)]-O-beta-D-galactopyranosyl-(1->4)- D-GlucoseO-beta-delta-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-[O-beta-delta-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->6)]-O-beta-delta-galactopyranosyl-(1->4)- D-Glucose락토-N-헥사오스Lacto-N-hexaose, Human Milkβ-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-(β-D-Gal-[1→4]-β-D-GlcNAc-[1→6])-β-D-Gal-(1→4)-D-GlcLNH, β-D-Gal-(1-3)-β-D-GlcNAc-(1-3)-(β-D-Gal-[1-4]-β-D-GlcNAc-[1-6])-β-D-Gal-(1-4)-D-Glcbeta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-D-GlcD-Glucose, O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-β-D-galactopyranosyl-(1→4)-N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
데이터베이스 식별자
- CAS
64003-51-6- PubChem CID
- 53477866
물성
구조 계산 물성
- XLogP
- -12.5
- 극성 표면적
- 532 Ų
- 수소 결합 공여자 수
- 20
- 수소 결합 수용자 수
- 31
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 73
- 형식 전하
- 0
- 복잡도
- 1,730
실험 및 물리화학적 성질
Physical DescriptionSolid
물리화학적 성질
- 끓는 점
- 1480.426 · 1480.426±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.742 · 1.742±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 12.395 · 12.395±0.20(predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 29329990
- hazard_code
- B
화학 및 산업
추가 설명
정의ChEBI: A branched amino hexasaccharide made up from three galactose residues, two glucosamine residues and one glucose residue (at the reducing end); a constituent of human breast milk.
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