Pyridoxine 4,5-dicaprylate
Basic information
- CAS
749-99-5- Standard SMILES
CCCCCCCC(=O)OCc1c(CO)cnc(C)c1OC(=O)CCCCCCC- InChIKey
IVCPRWHRGQGMPM-UHFFFAOYSA-N- Molecular formula
- C24H39NO5
- Average molar mass
- 421.6 g/mol
- Monoisotopic mass
- 421.28282334
Names & identifiers
- Preferred name
- Pyridoxine 4,5-dicaprylate
- IUPAC
- [5-(hydroxymethyl)-2-methyl-3-octanoyloxy-4-pyridinyl]methyl octanoate
- English name
- 5-(hydroxymethyl)-2-methyl-4-[[(1-oxooctyl)oxy]methyl]-3-pyridyloctanoic acid
- Molecular formula
- C24H39NO5
- Molecular weight
- 421.57
Names & synonyms
Pyridoxine 4,5-dicaprylate749-99-5EINECS 212-025-6UNII-523OR471EF523OR471EFPYRIDOXINE 4,5-DIOCTANOATEDTXSID40225876PYRIDOXOL, 4,5-DIOCTANOATEOctanoic acid, 5-(hydroxymethyl)-2-methyl-4-(((1-oxooctyl)oxy)methyl)-3-pyridinyl esterOCTANOIC ACID, 4,5-DIESTER WITH PYRIDOXOLOctanoic acid, 5-(hydroxymethyl)-2-methyl-4-[[(1-oxooctyl)oxy]methyl]-3-pyridinyl esterRefChem:177731
Show more names
Pyridoxol 4,5-dioctanoate5-(hydroxymethyl)-2-methyl-4-[[(1-oxooctyl)oxy]methyl]-3-pyridyloctanoic acidOctanoic acid 5-hydroxymethyl-2-methyl-4-[[(1-oxooctyl)oxy]methyl]-3-pyridinyl ester
DTXCID70148367212-025-65-(hydroxymethyl)-2-methyl-4-[(octanoyloxy)methyl]pyridin-3-yl octanoateIVCPRWHRGQGMPM-UHFFFAOYSA-N5-(Hydroxymethyl)-2-methyl-4-(((1-oxooctyl)oxy)methyl)-3-pyridyloctanoic acidNS00037670Q27260954
Database identifiers
- CAS
749-99-5- PubChem CID
- 69782
- DTXSID
DTXSID40225876- UNII
- 523OR471EF
- EC Number
- 212-025-6
- Nikkaji
- J154.144G
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- FDA UNII
- 523 OR471EF · 523OR471EF
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…