3-O-甲基抗坏血酸 | 13443-57-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 中文名称: 3-O-甲基抗坏血酸
• 英文名称: 3-O-Methyl-L-ascorbinsaeure
• 英文别名: 3-O-Methylascorbinsaeure；3-O-Methylascorbic acid；2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one
• CAS: 13443-57-7；139164-18-4
• 化学式: C₇H₁₀O₆
• 分子量: 190.153
• InChiKey: HFSCYDMAVALOIA-WWLRPLJCSA-N

物化性质

• 熔点：
  120-122 °C
• 沸点：
  569.3±50.0 °C(Predicted)
• 密度：
  1.55±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  96.2
• 氢给体数：
  3
• 氢受体数：
  6

安全信息

• 海关编码：
  2932209090

文献信息

• Structural carotenoid analogs for the inhibition and amelioration of disease
  申请人：Cardax Pharmaceuticals, Inc.

  公开号：EP2392562A1

  公开（公告）日：2011-12-07

  A chemical compound having the structure where each Y is independently O or H2; where each R is independently -alkyl-NR23, -alkyl-CO2-, or -amino acid-NH3+; where each R2 is independently H, alkyl, or aryl, as well as its use in treating cardiovascular disease, a disease which produces reactive oxygen species, liver disease, disease which comprises cancerous and pre-cancerous cell(s), disease comprising increasing cannexin 43 expression or reducing C-reactive protein, gastrointestinal disease, muscoskeletal disease.

  具有以下结构的化合物 其中每个 Y 独立地为 O 或 H2； 其中每个 R 独立地为-烷基-NR23、-烷基-CO2-或-氨基酸-NH3+； 其中每个 R2 独立地为 H、烷基或芳基，以及其在治疗心血管疾病、产生活性氧的疾病、肝脏疾病、包含癌细胞和癌前细胞的疾病、包括增加 cannexin 43 表达或降低 C 反应蛋白的疾病、胃肠道疾病、肌肉骨骼疾病中的用途。
• Identity Elucidation of Unknown Metabolites
  申请人：Milburn Michael

  公开号：US20140212872A1

  公开（公告）日：2014-07-31

  A method of elucidating the identity of an unknown metabolite comprising measuring amounts of known and unknown metabolites in subjects; associating the unknown metabolite with a specific gene from a gene association study; determining a protein associated with the specific gene and analyzing information for the protein; associating the unknown metabolite with concentrations and/or ratios of other metabolites in subjects; obtaining chemical structural data for the unknown metabolite; and using the information obtained to elucidate the identity of the unknown metabolite.
• US7691901B2
  申请人：——

  公开号：US7691901B2

  公开（公告）日：2010-04-06
• US9109252B2
  申请人：——

  公开号：US9109252B2

  公开（公告）日：2015-08-18