기본 정보
- CAS
50787-09-2- 표준 SMILES
CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@@H]1O- InChIKey
HMQPEDMEOBLSQB-RCBHQUQDSA-N- 분자식
- C14H25NO11
- 평균 분자량
- 383.35 g/mol
- 단동위원소 질량
- 383.14276061
개요
Beta-D-Galp-(1->3)-alpha-D-GlcpNAc is a beta-D-Galp-(13)-D-GlcpNAc in which the N-acetylaminoglucose moiety has alpha configuration. It is functionally related to a beta-D-galactose and a N-acetyl-alpha-D-glucosamine.
이름 및 식별자
- 우선 이름
- lacto-N-biose I
- IUPAC
- N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
이름 및 동의어
N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamideN-((2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxan-3-yl)acetamideGlyTouCan:G21469TERefChem:1048367G21469TElacto-N-biose I2-Acetamido-2-deoxy-3-O-(beta-D-galactopyranosyl)-D-glucopyranoseGal(b1-3)a-GlcNAc2-Acetamido-2-deoxy-3-O-(b-D-galactopyranosyl)-D-glucopyranoseSCHEMBL5518959CHEBI:145593beta-delta-Gal-(1->3)-delta-GlcNAc
이름 더 보기
beta-D-Galp-(1->3)-alpha-D-GlcpNAcN-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamideO-beta-D-Galactopyranosyl-(1->3)-N-acetylglucosamine2-acetamido-2-deoxy-3-O-b-D-galactopyranosyl-D-glucoseO-beta-delta-Galactopyranosyl-(1->3)-N-acetylglucosaminebeta-delta-Galactopyranosyl-(1->3)-N-acetyl-delta-glucosamine2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-D-glucopyranose2-acetamido-2-deoxy-3-O-beta-delta-galactopyranosyl-delta-glucose
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- -4.2
- 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
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