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N-Acetyl Glyphosate-d3

CAT: 0572-TRC-A178248-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A178248-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346604-36-1
Synonyms
N-(Acetyl-d3)-N-(phosphonomethyl)glycine; ( N-Acetylglyphosate-d3);
Hazard Statement
Causes serious eye damage; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC(=O)N(CC(=O)O)CP(=O)(O)O
Molecular Formula
C5H7D3NO6P
Molecular Weight
214.13
InChI
InChI=1S/C5H10NO6P/c1-4(7)6(2-5(8)9)3-13(10,11)12/h2-3H2,1H3,(H,8,9)(H2,10,11,12)/i1D3
Additionnal Information
IUPAC name: 2-[phosphonomethyl-(2,2,2-trideuterioacetyl)amino]acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Acetyl Glyphosate-d3
CAS Number1346604-36-1
PubChem CID71312907
IUPAC Name2-[phosphonomethyl-(2,2,2-trideuterioacetyl)amino]acetic acid
Molecular FormulaC5H10NO6P
Molecular Weight214.13
XLogP-2.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity258
SMILES
[2H]C([2H])([2H])C(=O)N(CC(=O)O)CP(=O)(O)O
InChI
InChI=1S/C5H10NO6P/c1-4(7)6(2-5(8)9)3-13(10,11)12/h2-3H2,1H3,(H,8,9)(H2,10,11,12)/i1D3
InChIKey
BFECXRMSKVFCNB-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyl Glyphosate-d3
CAS: 1346604-36-1
CID: 71312907
Formula: C5H10NO6P
MW: 214.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.13
XLogP3-2.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass214.04340427
Monoisotopic Mass214.04340427
Topological Polar Surface Area115 Ų
Heavy Atom Count13
Formal Charge0
Complexity258
Isotope Atom Count3
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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