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4-Methylumbelliferyl Phosphocholine

CAT: 0572-TRC-M334800-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M334800-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
97055-84-0
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CC1=CC(=O)Oc2cc(OP(=O)([O-])OCC[N+](C)(C)C)ccc12
Molecular Formula
C15 H20 N O6 P
Molecular Weight
341.3
InChI
InChI=1S/C15H20NO6P/c1-11-9-15(17)21-14-10-12(5-6-13(11)14)22-23(18,19)20-8-7-16(2,3)4/h5-6,9-10H,7-8H2,1-4H3
Additionnal Information
IUPAC name: (4-methyl-2-oxochromen-7-yl) 2-(trimethylazaniumyl)ethyl phosphate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Methylumbelliferyl phosphorylcholine
CAS Number97055-84-0
PubChem CID126160
IUPAC Name(4-methyl-2-oxochromen-7-yl) 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC15H20NO6P
Molecular Weight341.30
XLogP1.1
Topological Polar Surface Area84.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity518
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)([O-])OCC[N+](C)(C)C
InChI
InChI=1S/C15H20NO6P/c1-11-9-15(17)21-14-10-12(5-6-13(11)14)22-23(18,19)20-8-7-16(2,3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKey
XFDMHBWTKCGCSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylumbelliferyl phosphorylcholine
CAS: 97055-84-0
CID: 126160
Formula: C15H20NO6P
MW: 341.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.30
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass341.10282436
Monoisotopic Mass341.10282436
Topological Polar Surface Area84.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity518
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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Alternative Products

CatalogName
M3544-78T4-Methylumbelliferyl Phosphocholine
EM168130-014-Methylumbelliferyl-β-D-GlcNAc-6-phosphocholine
QJB35299-011-Myristoyl-2-[4- (4-biphenyl) butanoyl]-sn-glycero-3-phosphocholine
HY-1128391-Myristoyl-2- (4-nitrophenylsuccinyl) -sn-glycero-3-phosphocholine
YID67445-011-Stearoyl-2-[ (E) -4- (4- ((4-butylphenyl) diazenyl) phenyl) butanoyl]-sn-glycero-3-phosphocholine
HY-135036-014-Methylumbelliferyl butyrate
EM168113-014-Methylumbelliferyl dodecanoate
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HY-W3451024-Methylumbelliferyl β-cellotrioside
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