GlyTouCan:G70903NP
기본 정보
- 표준 SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[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](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](CO)O[C@H]1O- InChIKey
ITDQHOHMUCYEEB-KOIHUFHXSA-N- 분자식
- C50H85NO41
- 평균 분자량
- 1,356.2 g/mol
- 단동위원소 질량
- 1,355.4597011
개요
Man7GlcNAc-II is an amino sugar.
이름 및 식별자
- 우선 이름
- GlyTouCan:G70903NP
- IUPAC
- N-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
이름 및 동의어
GlyTouCan:G70903NPRefChem:1015999G70903NPMan7GlcNAc-IICHEBI:153567DTXSID401359927Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-3)[Man(a1-6)]Man(a1-6)]Man(b1-4)b-GlcNAcalpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseWURCS=2.0/3,8,7/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-3-3-3-3-3/a4-b1_b3-c1_b6-f1_c2-d1_d2-e1_f3-g1_f6-h1
데이터베이스 식별자
- PubChem CID
- 91858968
- DTXSID
DTXSID401359927- ChEBI
CHEBI:153567
물성
구조 계산 물성
- XLogP
- -15.4
- 극성 표면적
- 673 Ų
- 수소 결합 공여자 수
- 26
- 수소 결합 수용자 수
- 41
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 92
- 형식 전하
- 0
- 복잡도
- 2,260
관련 반응
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