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10-Cholesteryloxy decylphosphocholine

CAT: 0926-PFC26582-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-PFC26582-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1389265-82-0
Molecular Formula
C42H78NO5P
Molecular Weight
708.05 g/mol
Controlled
No

Chemical Information

10-[[(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]oxy]decyl 2-(trimethylazaniumyl)ethyl phosphate
CAS Number1389265-82-0
PubChem CID177823084
IUPAC Name10-[[(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]oxy]decyl 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC42H78NO5P
Molecular Weight708.0
XLogP11.4
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count22
Heavy Atom Count49
Formal Charge0
Complexity1060
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)OCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C)C)C
InChI
InChI=1S/C42H78NO5P/c1-33(2)18-17-19-34(3)38-22-23-39-37-21-20-35-32-36(24-26-41(35,4)40(37)25-27-42(38,39)5)46-29-15-13-11-9-10-12-14-16-30-47-49(44,45)48-31-28-43(6,7)8/h20,33-34,36-40H,9-19,21-32H2,1-8H3/t34-,36+,37+,38-,39+,40+,41+,42-/m1/s1
InChIKey
VHVTTXCSCPNNBW-JOGFJJBDSA-N
Chemical Structure
2D Structure
2D structure of 10-[[(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]oxy]decyl 2-(trimethylazaniumyl)ethyl phosphate
CAS: 1389265-82-0
CID: 177823084
Formula: C42H78NO5P
MW: 708.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight708.0
XLogP311.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count22
Exact Mass707.56176159
Monoisotopic Mass707.56176159
Topological Polar Surface Area67.8 Ų
Heavy Atom Count49
Formal Charge0
Complexity1060
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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