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Pyridoxine dipalmitate

CAT: 0926-FP40456-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FP40456-01Size:50 g
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CAS Number
635-38-1
Synonyms
Vitamin B6 dipalmitate
MDL Number
MFCD01632152
Smiles
CCCCCCCCCCCCCCCC (=O) OCC1=CN=C (C (=C1COC (=O) CCCCCCCCCCCCCCC) O) C
Molecular Formula
C40H71NO5
Molecular Weight
646 g/mol
Controlled
No

Chemical Information

Pyridoxine dipalmitate
CAS Number635-38-1
PubChem CID71586766
IUPAC Name(4-hexadecanoyloxy-5-hydroxy-6-methyl-3-pyridinyl) hexadecanoate
Molecular FormulaC38H67NO5
Molecular Weight617.9
XLogP15.1
Topological Polar Surface Area85.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count32
Heavy Atom Count44
Formal Charge0
Complexity672
SMILES
CCCCCCCCCCCCCCCC(=O)OC1=CN=C(C(=C1OC(=O)CCCCCCCCCCCCCCC)O)C
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
InChIKey
XQPZOTDPIYWJQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyridoxine dipalmitate
CAS: 635-38-1
CID: 71586766
Formula: C38H67NO5
MW: 617.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight617.9
XLogP315.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count32
Exact Mass617.50192424
Monoisotopic Mass617.50192424
Topological Polar Surface Area85.7 Ų
Heavy Atom Count44
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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