(2R)-2-[(2R,3R,4S)-3,4-bis(octadecanoyloxy)oxolan-2-yl]-2-hydroxyethyl octadecanoate

• ChemBase编号: 153473
• 分子式: C60H114O8
• 平均质量: 963.54236
• 单一同位素质量: 962.85137061
• SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O
• InChI: InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-52-54(61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-66-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59-,60-/m1/s1
• InChIKey: IDGUCWCSGWRLPK-LLPUSWRMSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-2-[(2R,3R,4S)-3,4-bis(octadecanoyloxy)oxolan-2-yl]-2-hydroxyethyl octadecanoate
• IUPAC传统名: (2R)-2-[(2R,3R,4S)-3,4-bis(octadecanoyloxy)oxolan-2-yl]-2-hydroxyethyl octadecanoate
• 别名: Sorbitan tristearate; Sorbitane tristearate; Span® 65

登记号

• CAS号: 26658-19-5
• EC号: 247-891-4
• MDL号: MFCD00151165
• PubChem SID: 162247612
• PubChem CID: 70685120

理论计算性质

• Acid pKa: 13.310578
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 20.862259
• LogD (pH = 7.4): 20.862257
• Log P: 20.862259
• 摩尔折射率: 283.2737 cm^3
• 极化性: 114.12802 Å^3
• 极化表面积: 108.36 Å^2
• 可自由旋转的化学键: 56
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: 150 °C; 302 °F
• 亲水亲油平衡值: 2.1±1.0

安全信息

• 德国WGK号: 1
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 简要说明: non-ionic

详细说明

Sigma Aldrich - S2028

Other Notes
Fatty acid composition:stearic acid (C18:0) approx. 50%; balance primarily palmitic acid (C16:0).
法律信息
Span is a registered trademark of Croda International PLC

Sigma Aldrich - 85547

包装
1 kg in poly bottle
250 g in poly bottle
法律信息
Span is a registered trademark of Croda International PLC