Basic information
- CAS
170926-06-4- Standard SMILES
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NCCCCCCCC- InChIKey
CSRGRGSMEUKQSD-XQAXIDAFSA-N- Molecular formula
- C26H53NO2
- Average molar mass
- 411.7 g/mol
Names & identifiers
- Preferred name
- N-Octylsphingosine
- IUPAC
- (E,2S,3R)-2-(octylamino)octadec-4-ene-1,3-diol
- English name
- 2-OCTYLAMINO-4-OCTADECEN-1,3-DIOL
- Molecular formula
- C26H53NO2
- Molecular weight
- 411.71
Names & synonyms
N-OctylsphingosineC8 Ceramine, D-erythroC-8 Ceramine170926-06-4C8 CERAMINEC8 Ceramine (d18:1/8:0)(E,2S,3R)-2-(octylamino)octadec-4-ene-1,3-diolBSPBio_001283BML3-D09CHEMBL1395762SCHEMBL29927294CSRGRGSMEUKQSD-XQAXIDAFSA-N
Show more names
N-OctylsphinegosineD-ERYTHRO-CERAMINE C8D-erythro C8 ceramineN-Octyl-D-sphingosineD-erythro-Sphingosine, N-Octyl-2-OCTYLAMINO-4-OCTADECEN-1,3-DIOL4-Octadecene-1,3-diol, 2-(octylamino)-, (2S,3R,4E)-
DTXSID801372644HMS1361A05HMS1791A05HMS1989A05HMS3402A05HMS3649E15HY-W747533IDI1_033753
Database identifiers
- CAS
170926-06-4- ChEMBL
CHEMBL1395762
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 23
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 532.919 · 532.919±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.903 · 0.903±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 22 mg/ml · DMF: >22 mg/ml (from C-8 Ceramide); DMSO: >20 mg/ml (from C-8 Ceramide); Ethanol: >33 mg/ml (from C-8 Ceramide); Ethanol:PBS(pH 7.2)(1:1): 0.5 mg/ml; PBS pH 7.2: <50 μg/ml (from C-8 Ceramide)
- form
- White solid.
- pka
- 13.776 · 13.776±0.20(predicted)
- color
- white
- UNSPSC Code
- 12352104 · 12352104
- NACRES
- 77 · NA.77
Chemistry & industry
Applications
UsesC8 Ceramine, D-erythro is an analog of ceramide.
Suppliers9 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
ChemeGen 中国18818260767 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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