Basic information
- CAS
16105-69-4- Standard SMILES
CCCCCCCCCCCCCCCC(=O)C(N)CO- InChIKey
KBUNOSOGGAARKZ-UHFFFAOYSA-N- Molecular formula
- C18H37NO2
- Average molar mass
- 299.5 g/mol
- Monoisotopic mass
- 299.28242942
Overview
2-amino-1-hydroxyoctadecan-3-one is a ketone and a sphingoid.
Names & identifiers
- Preferred name
- 2-Amino-1-hydroxy-3-octadecanone
- IUPAC
- 2-amino-1-hydroxyoctadecan-3-one
- English name
- 2-amino-1-hydroxy-octadecan-3-one
- Molecular formula
- C18H37NO2
- Molecular weight
- 299.49
Names & synonyms
2-amino-1-hydroxyoctadecan-3-one16105-69-4KetodihydrosphingosineCHEBI:46966DTXSID808646622-amino-1-hydroxy-3-octadecanoneRefChem:85053DTXCID608131531-Hydroxy-2-amino-3-oxo-octadecaneD,L-3-Dehydrosphinganin2-AMINO-1-HYDROXY-OCTADECAN-3-ONE3-keto-dihydrosphingosine
Show more names
3-Dehydrosphinganine3-Ketodihydrosphingosine hydrochloride salt2H3]-3-Ketodihydrosphingosine hydrochloride salt
SCHEMBL6785752-amino-1-hydroxyoctadecane-3-oneTAA944283-Octadecanone, 2-amino-1-hydroxy-(+-)-isomer of ketodihydrosphingosinePD025531NS001227723-KETO-DIHYDROSPHINGOSINE HYDROCHLORIDE
Database identifiers
- CAS
16105-69-4- PubChem CID
- 631
- DTXSID
DTXSID80864662- ChEBI
CHEBI:46966
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 438.6 · 438.6±30.0 °C(Predicted)
- Density
- 0.923 · 0.923±0.06 g/cm3(Predicted)
- pka
- 11.97 · 11.97±0.10(Predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
Additional notes
DefinitionChEBI: 2-amino-1-hydroxyoctadecan-3-one is a sphingoid and a ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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