N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octanamide

• ChemBase编号: 90892
• 分子式: C26H53NO3
• 平均质量: 427.70392
• 单一同位素质量: 427.40254456
• SMILES: CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCC[C@H]([C@@H](NC(=O)CCCCCCC)CO)O
• InChI: InChI=1S/C26H53NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h24-25,28-29H,3-23H2,1-2H3,(H,27,30)/t24-,25+/m0/s1
• InChIKey: LGOFBZUQIUVJFS-LOSJGSFVSA-N

名称和登记号

名称

• IUPAC标准名: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octanamide
• IUPAC传统名: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octanamide
• 别名: C8 Dihydroceramide [N-Octanoylsphinganine]; N-[(1S,2R)-2-Hydroxy-1-(hydroxymethyl)heptadecyl]octanamide; N-Octanoylsphinganine; C8 Dihydroceramide; D-erythro-N-Octanoyldihydrosphingosine; Dihydroceramide C8

登记号

• CAS号: 145774-33-0
• MDL号: MFCD01320385
• PubChem SID: 162077601
• PubChem CID: 6610274

理论计算性质

• Acid pKa: 13.89713
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 7.5148187
• LogD (pH = 7.4): 7.51482
• Log P: 7.51482
• 摩尔折射率: 128.0051 cm^3
• 极化性: 51.071445 Å^3
• 极化表面积: 69.56 Å^2
• 可自由旋转的化学键: 23
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; DMF: soluble25 mg/mL; DMSO; DMSO: soluble5 mg/mL; ethanol: soluble10 mg/mL
• 外观: White Solid; white waxy solid
• 熔点: 101-102°C

安全信息

• 保存条件: -20°C Freezer
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C26H53NO3

详细说明

Apollo Scientific Ltd - OR6273T

May be used as a negative control of C2 Ceramide.

Sigma Aldrich - C8605

Biochem/physiol Actions
Inactive form of C8 ceramide for use as a negative control.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. C8605.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Toronto Research Chemicals - C262730

May be used as a negative control for C8 Ceramide.

参考文献

• Bielawska, A., et al., J. Biol. Chem., 268, 26226 (1993)
• Struckhoff, A., et al.: J. Pharmacol. Exp. Ther., 309, 523 (1993)