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Glyphosate-13C,15N

CAT: 0572-TRC-G765009-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G765009-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
285978-24-7
Synonyms
Glyphosate 13C 15N (2-13C)
Hazard Statement
Harmful in contact with skin; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
OC(=O)[13CH2][15NH]CP(=O)(O)O
Molecular Formula
13C C2 H8 15N O5 P
Molecular Weight
171.06
InChI
InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/i1+1,4+1
Additionnal Information
IUPAC name: 2-(phosphonomethylamino)acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Glyphosate-13C,15N
CAS Number285978-24-7
PubChem CID71309253
IUPAC Name2-(phosphonomethyl(15N)amino)acetic acid
Molecular FormulaC3H8NO5P
Molecular Weight171.06
XLogP-4.6
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity162
SMILES
C([15NH][13CH2]C(=O)O)P(=O)(O)O
InChI
InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/i1+1,4+1
InChIKey
XDDAORKBJWWYJS-VFZPYAPFSA-N
Chemical Structure
2D Structure
2D structure of Glyphosate-13C,15N
CAS: 285978-24-7
CID: 71309253
Formula: C3H8NO5P
MW: 171.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.06
XLogP3-4.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass171.01439908
Monoisotopic Mass171.01439908
Topological Polar Surface Area107 Ų
Heavy Atom Count10
Formal Charge0
Complexity162
Isotope Atom Count2
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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