[(2R,3R,4S,5R)-3,4,5-tris(acetyloxy)-6-[2-methoxy-4-(morpholine-4-carbonyl)phenoxy]oxan-2-yl]methyl acetate

• ChemBase编号: 186216
• 分子式: C26H33NO13
• 平均质量: 567.53912
• 单一同位素质量: 567.19519012
• SMILES: [C@H]1([C@H]([C@@H]([C@H](OC1Oc1c(cc(C(=O)N2CCOCC2)cc1)OC)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• Canonical SMILES: COc1cc(ccc1OC1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)C(=O)N1CCOCC1
• InChI: InChI=1S/C26H33NO13/c1-14(28)35-13-21-22(36-15(2)29)23(37-16(3)30)24(38-17(4)31)26(40-21)39-19-7-6-18(12-20(19)33-5)25(32)27-8-10-34-11-9-27/h6-7,12,21-24,26H,8-11,13H2,1-5H3/t21-,22-,23+,24-,26?/m1/s1
• InChIKey: KAGLYCBCVFCTRB-HGXYQMEISA-N

名称和登记号

名称

• IUPAC标准名: [(2R,3R,4S,5R)-3,4,5-tris(acetyloxy)-6-[2-methoxy-4-(morpholine-4-carbonyl)phenoxy]oxan-2-yl]methyl acetate
• IUPAC传统名: [(2R,3R,4S,5R)-3,4,5-tris(acetyloxy)-6-[2-methoxy-4-(morpholine-4-carbonyl)phenoxy]oxan-2-yl]methyl acetate

登记号

• PubChem SID: 164242126
• PubChem CID: 16396513

理论计算性质

• 质子受体: 9
• 质子供体: 0
• LogD (pH = 5.5): 0.08793438
• LogD (pH = 7.4): 0.08793475
• Log P: 0.08793475
• 摩尔折射率: 131.1988 cm^3
• 极化性: 52.853004 Å^3
• 极化表面积: 162.43 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds