ET-18-OCH3

CAT: 0024-sc-201021CSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-201021CSize:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

77286-66-9

Chemical Information

Edelfosine, (R)-

(R)-edelfosine is a 1-octadecyl-2-methylglycero-3-phosphocholine that is the (R)-enantiomer of edelfosine.

CAS Number	77286-66-9
PubChem CID	6918215
IUPAC Name	[(2R)-2-methoxy-3-octadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Formula	C27H58NO6P
Molecular Weight	523.7
XLogP	7.6
Topological Polar Surface Area	77.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	27
Heavy Atom Count	35
Formal Charge	0
Complexity	492

SMILES

CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC

InChI

InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3/t27-/m1/s1

InChIKey

MHFRGQHAERHWKZ-HHHXNRCGSA-N

Chemical Structure

2D Structure

CAS: 77286-66-9

CID: 6918215

Formula: C27H58NO6P

MW: 523.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	523.7
XLogP3	7.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	27
Exact Mass	523.40017557
Monoisotopic Mass	523.40017557
Topological Polar Surface Area	77.1 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	492
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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