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Ethyl Dihydrogen Phosphate

CAT: 0572-TRC-E927840-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E927840-500MGSize:500 mg
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CAS Number
1623-14-9
Synonyms
Ethyl Dihydrogen Phosphate;
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCOP(=O)(O)O
Molecular Formula
C2 H7 O4 P
Molecular Weight
126.048
InChI
InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)
Additionnal Information
IUPAC name: ethyl dihydrogen phosphate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Monoethyl phosphate

Ethyl dihydrogen phosphate is a monoalkyl phosphate epitope having ethyl as the alkyl group. It has a role as an epitope and a phosphoantigen. It is a conjugate acid of an ethyl hydrogen phosphate(1-).

CAS Number1623-14-9
PubChem CID74190
IUPAC Nameethyl dihydrogen phosphate
Molecular FormulaC2H7O4P
Molecular Weight126.05
XLogP-1.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity83
SMILES
CCOP(=O)(O)O
InChI
InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)
InChIKey
ZJXZSIYSNXKHEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Monoethyl phosphate
CAS: 1623-14-9
CID: 74190
Formula: C2H7O4P
MW: 126.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight126.05
XLogP3-1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass126.00819570
Monoisotopic Mass126.00819570
Topological Polar Surface Area66.8 Ų
Heavy Atom Count7
Formal Charge0
Complexity83.7
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