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

• ChemBase编号: 90882
• 分子式: C24H49NO3
• 平均质量: 399.65076
• 单一同位素质量: 399.37124443
• SMILES: O=C(N[C@H]([C@H](O)CCCCCCCCCCCCCCC)CO)CCCCC
• Canonical SMILES: CCCCCCCCCCCCCCC[C@H]([C@@H](NC(=O)CCCCC)CO)O
• InChI: InChI=1S/C24H49NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h22-23,26-27H,3-21H2,1-2H3,(H,25,28)/t22-,23+/m0/s1
• InChIKey: VUMHYWBWYSPQMM-XZOQPEGZSA-N

名称和登记号

名称

• IUPAC标准名: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]hexanamide
• IUPAC传统名: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]hexanamide
• 别名: N-[(1S,2R)-2-Hydroxy-1-(hydroxymethyl)heptadecyl]hexanamide; N-Hexanoylsphinganine; C6 Dihydroceramide; C6 Dihydroceramide [N-Hexanoylsphinganine]; N-Hexanoyldihydrosphingosine; Dihydroceramide C6

登记号

• CAS号: 171039-13-7
• MDL号: MFCD01320384
• PubChem SID: 24893033; 162077591
• PubChem CID: 16219163

理论计算性质

• Acid pKa: 13.857531
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 6.6256814
• LogD (pH = 7.4): 6.6256824
• Log P: 6.625683
• 摩尔折射率: 118.8031 cm^3
• 极化性: 47.383682 Å^3
• 极化表面积: 69.56 Å^2
• 可自由旋转的化学键: 21
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; DMF: soluble; DMSO: soluble; ethanol: soluble
• 外观: white solid; White to Off-White Solid
• 熔点: 99-100°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

• Empirical Formula (Hill Notation): C24H49NO3

详细说明

Apollo Scientific Ltd - OR6263T

May be used as a negative control for C2 Ceramide.

Sigma Aldrich - C8230

Biochem/physiol Actions
Inactive form of C6 ceramide for use as a negative control.

Toronto Research Chemicals - C262630

May be used as a negative control for C6 Ceramide.

参考文献

• Bielawska, A., et al., J. Biol. Chem., 268, 26226 (1993)