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DMHAPC-Chol

CAT: 0013-GTR19191168-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191168-01Size:1 mg
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Description
DMHAPC-Chol is a cationic cholesterol derivative used to formulate liposomes for nucleic acid delivery. These lipoplexes have been employed for in vitro transfection and in vivo gene delivery in mouse models, including intratracheal administration to the lung and systemic delivery in tumor xenograft studies.
CAS Number
794494-38-5
Smiles
C[C@@]12[C@@]3 ([C@] ([C@]4 ([C@] (C) (CC3) [C@@] ([C@@H] (CCCC (C) C) C) (CC4) [H]) [H]) (CC=C1C[C@@H] (OC (NCCC[N+] (CCO) (C) C) =O) CC2) [H]) [H]
Molecular Formula
C35H63N2O3
Molecular Weight
559.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DMHAPC-Chol
CAS Number794494-38-5
PubChem CID154723793
IUPAC Name3-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]propyl-(2-hydroxyethyl)-dimethylazanium
Molecular FormulaC35H63N2O3+
Molecular Weight559.9
XLogP8.7
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge1
Complexity884
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCC[N+](C)(C)CCO)C)C
InChI
InChI=1S/C35H62N2O3/c1-25(2)10-8-11-26(3)30-14-15-31-29-13-12-27-24-28(16-18-34(27,4)32(29)17-19-35(30,31)5)40-33(39)36-20-9-21-37(6,7)22-23-38/h12,25-26,28-32,38H,8-11,13-24H2,1-7H3/p+1/t26-,28+,29+,30-,31+,32+,34+,35-/m1/s1
InChIKey
ZTGXTDBNSSOEDB-SJTWHRLHSA-O
Chemical Structure
2D Structure
2D structure of DMHAPC-Chol
CAS: 794494-38-5
CID: 154723793
Formula: C35H63N2O3+
MW: 559.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight559.9
XLogP38.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Exact Mass559.48386888
Monoisotopic Mass559.48386888
Topological Polar Surface Area58.6 Ų
Heavy Atom Count40
Formal Charge1
Complexity884
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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