기본 정보
- CAS
129830-00-8- 표준 SMILES
CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](NC(C)=O)[C@@H](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]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
XPRHPZXUKNVBNV-HDGDYMOSSA-N- 분자식
- C62H104N4O46
- 평균 분자량
- 1,641.5 g/mol
- 단동위원소 질량
- 1,640.5921718
개요
structure given in first source
이름 및 식별자
- 우선 이름
- Galp-glcpnac-manp-(glcpnac)-(galp-glpnac-manp)-manp-glcnac
- IUPAC
- N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-3,4-bis[[(2R,3S,4S,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy]-6-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- 영어명
- Galp-GlcpNac-Manp-(GlcpNAc)-(Galp-GlpNAc-Manp)-Manp-GlcNac
- 분자식
- C62H104N4O46
- 분자량
- 1641.49
이름 및 동의어
Ggm-nona129830-00-8Galp-glcpnac-manp-(glcpnac)-(galp-glpnac-manp)-manp-glcnacDTXSID50156248RefChem:142213GlyTouCan:G73586JKDTXCID1078739G73586JKbeta-D-Mannopyranosyl 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-[beta-D-galactopyranosyl-(1->3)]-alpha-D-mannopyranosyl-(1->3)]-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-[beta-D-galactopyranosyl-(1->3)]-alpha-D-mannopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosideβ-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-[O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)]-O-[O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)]-O-β-D-mannop...
데이터베이스 식별자
- CAS
129830-00-8
물성
구조 계산 물성
- XLogP
- -15.9
- 극성 표면적
- 779 Ų
- 수소 결합 공여자 수
- 29
- 수소 결합 수용자 수
- 46
- 회전 가능 결합 수
- 29
- 무거운 원자 수
- 112
- 형식 전하
- 0
- 복잡도
- 2,970
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