α-氢-ω-(1-氧代十八烷基)聚氧乙烯 D-葡糖醇醚
Poly(oxy-1,2-ethanediyl), alpha-hydro-omega-[(1-oxooctadecyl)oxy]-, ether with D-glucitol (6:1) · CAS 9011-29-4
- 中文名
- α-氢-ω-(1-氧代十八烷基)聚氧乙烯 D-葡糖醇醚
- 中文别名
- 暂无
- 英文名
- Poly(oxy-1,2-ethanediyl), alpha-hydro-omega-[(1-oxooctadecyl)oxy]-, ether with D-glucitol (6:1)
- CAS
- 9011-29-4
- CID
- 155288870
- IUPAC 名称
- (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;2-hydroxyethyl dodecaneperoxoate;2-[2,3,4,5,6-pentakis(2-octadecanoyloxyethoxy)hexoxy]ethyl octadecanoate
名称与编号
- 中文名
- α-氢-ω-(1-氧代十八烷基)聚氧乙烯 D-葡糖醇醚
- 中文别名
- 暂无
- 英文名
- Poly(oxy-1,2-ethanediyl), alpha-hydro-omega-[(1-oxooctadecyl)oxy]-, ether with D-glucitol (6:1)
- CAS
- 9011-29-4
- CID
- 155288870
- IUPAC 名称
- (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;2-hydroxyethyl dodecaneperoxoate;2-[2,3,4,5,6-pentakis(2-octadecanoyloxyethoxy)hexoxy]ethyl octadecanoate
分子属性
- 分子式
- C146H284O28
- 分子量
- 2487.8 g/mol
- 精确质量
- 2487.08327323 Da
- 单同位素质量
- 2486.0799184 Da
- XLogP
- 暂无
- 极性表面积
- 390 Ų
- 氢键供体
- 7
- 氢键受体
- 28
- 可旋转键
- 150
- 重原子数
- 174
- 净电荷
- 0
- 结构复杂度
- 2690
结构标识
- InChIKey
- IONUPOHMINOAPE-QQCVYQHSSA-N
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)OCCOCC(C(C(C(COCCOC(=O)CCCCCCCCCCCCCCCCC)OCCOC(=O)CCCCCCCCCCCCCCCCC)OCCOC(=O)CCCCCCCCCCCCCCCCC)OCCOC(=O)CCCCCCCCCCCCCCCCC)OCCOC(=O)CCCCCCCCCCCCCCCCC.CCCCCCCCCCCC(=O)OOCCO.C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O
- InChI
- InChI=1S/C126H242O18.C14H28O4.C6H14O6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-119(127)137-105-103-133-115-117(135-107-109-139-121(129)99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)125(143-113-111-141-123(131)101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)126(144-114-112-142-124(132)102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)118(136-108-110-140-122(130)100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)116-134-104-106-138-120(128)98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2;1-2-3-4-5-6-7-8-9-10-11-14(16)18-17-13-12-15;7-1-3(9)5(11)6(12)4(10)2-8/h117-118,125-126H,7-116H2,1-6H3;15H,2-13H2,1H3;3-12H,1-2H2/t;;3-,4+,5-,6-/m..1/s1