3-Aminopropyl 4-O-(4-O-glucopyranosyl-2-O-rhamnopyranosyl-galactopyranosyl)-rhamnopyranoside 3'-(glycer-2-yl sodium phosphate)
基本情報
- CAS
143873-66-9- 標準SMILES
CC1OC(OC2C(OC3C(C)OC(OCCCN)C(O)C3O)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2OP(=O)([O-])OC(CO)CO)C(O)C(O)C1O.[Na+]- InChIKey
MAQIOMRQBCSXSF-UHFFFAOYSA-M- 分子式
- C30H55NNaO24P
- 平均分子量
- 867.7 g/mol
- 単同位体質量
- 867.27493255
概要
spacer-containing repeating unit of the capsular polysaccharide of Streptococcus pneumoniae type 23F; structure given in first source
名称と識別子
- 優先名称
- 3-Aminopropyl 4-O-(4-O-glucopyranosyl-2-O-rhamnopyranosyl-galactopyranosyl)-rhamnopyranoside 3'-(glycer-2-yl sodium phosphate)
- IUPAC
- sodium [2-[6-(3-aminopropoxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] 1,3-dihydroxypropan-2-yl phosphate
- 英語名
- sodium 2-[6-[6-(3-aminopropoxy)-4,5-dihydroxy-2-methyl-oxan-3-yl]oxy-4 -(1,3-dihydroxypropan-2-yloxy-oxido-phosphoryl)oxy-2-(hydroxymethyl)-5 -(3,4,5-trihydroxy-6-methyl-oxan-2-yl)oxy-oxan-3-yl]oxy-6-(hydroxymeth yl)oxane-3,4,5-triol
- 分子式
- C30H55NNaO24P
- 分子量
- 0
名称と別名
3-Agrgrgp143873-66-93-Aminopropyl 4-O-(4-O-glucopyranosyl-2-O-rhamnopyranosyl-galactopyranosyl)-rhamnopyranoside 3'-(glycer-2-yl sodium phosphate)RefChem:92993beta-L-Mannopyranoside, 3-aminopropyl O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-4))-O-3-O-(hydroxyl(2-hydroxy-1-(hydroxymethyl)ethoxy)phosphinyl)-beta-D-galactopyranosyl-(1-4)-6-deoxy-, monosodium saltDTXSID90932129Sodium 3-aminopropyl 6-deoxyhexopyranosyl-(1->2)-[hexopyranosyl-(1->4)]-3-O-{[(1,3-dihydroxypropan-2-yl)oxy]phosphinato}hexopyranosyl-(1->4)-6-deoxyhexopyranosidesodium 2-[6-[6-(3-aminopropoxy)-4,5-dihydroxy-2-methyl-oxan-3-yl]oxy-4 -(1,3-dihydroxypropan-2-yloxy-oxido-phosphoryl)oxy-2-(hydroxymethyl)-5 -(3,4,5-trihydroxy-6-methyl-oxan-2-yl)oxy-oxan-3-yl]oxy-6-(hydroxymeth yl)oxane-3,4,5-triol
データベース識別子
- CAS
143873-66-9
物性
構造計算による物性
- 極性表面積
- 401 Ų
- 水素結合供与体数
- 13
- 水素結合受容体数
- 25
- 回転可能結合数
- 18
- 重原子数
- 57
- 形式電荷
- 0
- 複雑度
- 1,230
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