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SsPalmO-Phe (ssPalmO-Phe-P4C2)

CAT: 0013-GTR19154552-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154552-01Size:25 mg
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Description
SsPalmO-Phe (SS-OP) is a self-degradable material for the delivery of oligonucleotides. ssPalmO-Phe is a self-degradable derivative of ssPalm that is self-degraded in the intraparticle space by a specific hydrolytic reaction. ssPalmO-Phe is beneficial for overcoming the plasma/endosomal membrane, LNP-ssPalmO-Phe can be used to deliver both nucleic acids.
CAS Number
2377474-67-2
Purity
>95%
Smiles
C (C (OCCC1CCN (CCSSCCN2CCC (CCOC (CC3=CC=C (OC (CCCCCCC/C=C\CCCCCCCC) =O) C=C3) =O) CC2) CC1) =O) C4=CC=C (OC (CCCCCCC/C= C\CCCCCCCC) =O) C=C4
Molecular Formula
C70H112N2O8S2
Molecular Weight
1173.777
Notes
For research use only.

Chemical Information

ssPalmO-Phe
CAS Number2377474-67-2
PubChem CID135397718
IUPAC Name[4-[2-[2-[1-[2-[2-[4-[2-[2-[4-[(Z)-octadec-9-enoyl]oxyphenyl]acetyl]oxyethyl]piperidin-1-yl]ethyldisulfanyl]ethyl]piperidin-4-yl]ethoxy]-2-oxoethyl]phenyl] (Z)-octadec-9-enoate
Molecular FormulaC70H112N2O8S2
Molecular Weight1173.8
XLogP20.6
Topological Polar Surface Area162
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count53
Heavy Atom Count82
Formal Charge0
Complexity1510
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC1=CC=C(C=C1)CC(=O)OCCC2CCN(CC2)CCSSCCN3CCC(CC3)CCOC(=O)CC4=CC=C(C=C4)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C70H112N2O8S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-67(73)79-65-39-35-63(36-40-65)59-69(75)77-55-47-61-43-49-71(50-44-61)53-57-81-82-58-54-72-51-45-62(46-52-72)48-56-78-70(76)60-64-37-41-66(42-38-64)80-68(74)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35-42,61-62H,3-16,21-34,43-60H2,1-2H3/b19-17-,20-18-
InChIKey
VEBQYSNFOGTNHW-CLFAGFIQSA-N
Chemical Structure
2D Structure
2D structure of ssPalmO-Phe
CAS: 2377474-67-2
CID: 135397718
Formula: C70H112N2O8S2
MW: 1173.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1173.8
XLogP320.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count53
Exact Mass1172.78601088
Monoisotopic Mass1172.78601088
Topological Polar Surface Area162 Ų
Heavy Atom Count82
Formal Charge0
Complexity1510
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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