Basic information
- CAS
19794-97-9- Standard SMILES
CCCCCCCCCCCCCCCC(O)C(N)COP(=O)(O)O- InChIKey
YHEDRJPUIRMZMP-UHFFFAOYSA-N- Molecular formula
- C18H40NO5P
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.26441037
Overview
(2-amino-3-hydroxyoctadecyl)oxyphosphonic acid has been reported in Homo sapiens with data available.
Names & identifiers
- Preferred name
- 2-Amino-3-hydroxyoctadecyl dihydrogen phosphate
- IUPAC
- (2-amino-3-hydroxyoctadecyl) dihydrogen phosphate
- English name
- (2-amino-3-hydroxy-octadecoxy)phosphonic acid
- Molecular formula
- C18H40NO5P
- Molecular weight
- 381.49
Names & synonyms
2-amino-3-hydroxyoctadecyl dihydrogen phosphate(2-amino-3-hydroxyoctadecyl) dihydrogen phosphateRefChem:1062163DTXCID80813372DTXSID8086490528508-07-8(2S,3R)-Sphinganine 1-phosphate(2S,3R)-Dihydrosphingosine 1-phosphateD-erythro-Dihydrosphingosine-1-phosphateSCHEMBL433711,3-Octadecanediol, 2-amino-, 1-(dihydrogen phosphate), (R-(R*,S*))-AKOS030254882
Show more names
2S-amino-1SPHINGANINE-1-PHOSPHATEdihydrosphingosine 1-phosphateSphinganine-1-phosphate (d18:0)D-erythro-sphinganine-1-phosphateC18-Dihydrosphingosine 1-PhosphateD-erythro-Dihydrosphingosine 1-phosphate(2S,3R)-2-AMino-1,3-octadecanediol 1-(Dihydrogen Phosphate)
DB-222658(2-amino-3-hydroxy-octadecoxy)phosphonic acid
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 548.2 · 548.2±60.0 °C(Predicted)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 0.3 M · 0.3 M NaOH: 4 mg/ml; DMF: <50 μg/ml; DMSO: <50 μg/ml; Ethanol: <50 μg/ml; PBS (pH 7.2): <50 μg/ml
- form
- A crystalline solid
- pka
- 1.76 · 1.76±0.10(Predicted)
- color
- White to off-white
- InChI
- 1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1
- InChIKey
- YHEDRJPUIRMZMP-ZWKOTPCHSA-N
- SMILES
- CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses(2-amino-3-hydroxy-octadecoxy)phosphonic acid may be used as a negative control for C2 Ceramide.
Suppliers24 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海如吉生物科技发展有限公司021-69955236-807 13918189704 · [email protected]
上海跃腾生物技术有限公司021-36031160 13311776681 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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