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Mevinphos-d6 (Major)

CAT: 0572-TRC-M340537-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M340537-2.5MGSize:2.5 mg
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CAS Number
2470235-45-9
Synonyms
3-[(Dimethoxyphosphinyl)oxy]-2-Butenoic Acid Methyl Ester-d6;3-Hydroxycrotonic Acid Methyl Ester Dimethyl Phosphate-d6; 1-Methoxycarbonyl-1-propen-2-yl Dimethyl Phosphate-d6; 2-Carbomethoxy-1-methylvinyl dimethyl Phosphate-d6; 2-Methoxycarbonyl-1-methylvinyl Dimethyl Phosphate-d6; CMDP-d6; Fosdrin-d6; Gesfid-d6; Meniphos-d6; Mevinphos-d6; NSC 46470-d6; O,O-Dimethyl O-(1-Carbomethoxy-1-propen-2-yl) Phosphate-d6; PD 5-d6; PD 5 (pesticide)-d6; Phosdrin-d6; Phosdrin W 10-d6
Hazard Statement
Combustible liquid; UN number: UN3018; Packing Group: I
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])OP(=O)(OC(=CC(=O)OC)C)OC([2H])([2H])[2H]
Molecular Formula
C7 D6 H7 O6 P
Molecular Weight
230.19
InChI
InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/i3D3,4D3
Additionnal Information
IUPAC name: methyl 3-[bis(trideuteriomethoxy)phosphoryloxy]but-2-enoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl 3-(bis(trideuteriomethoxy)phosphoryloxy)but-2-enoate
CAS Number2470235-45-9
PubChem CID145994876
IUPAC Namemethyl 3-[bis(trideuteriomethoxy)phosphoryloxy]but-2-enoate
Molecular FormulaC7H13O6P
Molecular Weight230.18
XLogP1.2
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity263
SMILES
[2H]C([2H])([2H])OP(=O)(OC(=CC(=O)OC)C)OC([2H])([2H])[2H]
InChI
InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/i3D3,4D3
InChIKey
GEPDYQSQVLXLEU-LIJFRPJRSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-(bis(trideuteriomethoxy)phosphoryloxy)but-2-enoate
CAS: 2470235-45-9
CID: 145994876
Formula: C7H13O6P
MW: 230.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight230.18
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass230.08263560
Monoisotopic Mass230.08263560
Topological Polar Surface Area71.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity263
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes