chempirical

Pyridoxine dipalmitate

C38H67NO5CAS 635-38-1617.96 g/mol

Open in Covalent MOL file
OONOOHO
EsterPhenol

Properties

Molecular formula
C38H67NO5
Molar mass
617.96 g/mol
Exact mass
617.5019 Da
logP
11.87Crippen estimate
Polar surface area
85.7 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
30

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
635-38-1
SMILES
CCCCCCCCCCCCCCCC(=O)OC1=CN=C(C(=C1OC(=O)CCCCCCCCCCCCCCC)O)C
InChIKey
XQPZOTDPIYWJQZ-UHFFFAOYSA-N
InChI
InChI=1S/C38H67NO5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35(40)43-34-32-39-33(3)37(42)38(34)44-36(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32,42H,4-31H2,1-3H3

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Work with Pyridoxine dipalmitate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Methylphenyl octanoate59558-23-546 % similar Phenyl stearate637-55-845 % similar 2-(4-Methyl-1,3-thiazol-5-yl)ethyl decanoate101426-31-744 % similar Bromoxynil octanoate1689-99-242 % similar 2-(4-Methyl-1,3-thiazol-5-yl)ethyl hexanoate94159-32-742 % similar Dilauroyl peroxide105-74-841 % similar Decanoic anhydride2082-76-041 % similar Palmitic anhydride623-65-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook