N-[(2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]hexadecanamide

• ChemBase编号: 90904
• 分子式: C34H67NO3
• 平均质量: 537.90068
• 单一同位素质量: 537.51209501
• SMILES: O[C@@H](/C=C/CCCCCCCCCCCCC)[C@H](NC(=O)CCCCCCCCCCCCCCC)CO
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H]([C@H](/C=C/CCCCCCCCCCCCC)O)CO
• InChI: InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/t32-,33+/m1/s1
• InChIKey: YDNKGFDKKRUKPY-SAIUNTKASA-N

名称和登记号

名称

• IUPAC标准名: N-[(2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]hexadecanamide
• IUPAC传统名: N-[(2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]hexadecanamide
• 别名: N-Palmitoyl-D-erythro-sphingosine; N-Hexadecanoyl-D-erythro-sphingosine; Palmitoyl ceramide; C16 Ceramide

登记号

• CAS号: 24696-26-2
• PubChem SID: 162077613
• PubChem CID: 11006033

理论计算性质

• Acid pKa: 13.619749
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 10.865354
• LogD (pH = 7.4): 10.865355
• Log P: 10.8653555
• 摩尔折射率: 165.7757 cm^3
• 极化性: 65.59229 Å^3
• 极化表面积: 69.56 Å^2
• 可自由旋转的化学键: 30
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 94-95°C

安全信息

• 保存注意事项: Irritant/Store under -20°C

详细说明

Apollo Scientific Ltd - OR6290T

A predominant, rather hydrophobic natural ceramide. Activates a cytosolic serine/threonine protein phosphate & stimulates ceramide-activated protein kinase.