Glyphosate

HCID 3496CAS 1071-83-6

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)CNCP(=O)(O)O
InChIKey: XDDAORKBJWWYJS-UHFFFAOYSA-N
Molecular formula: C3H8NO5P
Average molar mass: 169.07 g/mol
Monoisotopic mass: 169.01400935

Names & identifiers

Preferred name: Glyphosate
IUPAC: 2-(phosphonomethylamino)acetic acid

Names & synonyms

glyphosate1071-83-6N-(Phosphonomethyl)glycineGlyphosphateN-PhosphomethylglycineGlyfosN-Phosphonomethylglycine2-(phosphonomethylamino)acetic acidPondmasterSilglifGlycine, N-(phosphonomethyl)-Roundup Max

Show more names

FolusenGlialkaHerbatopPhorsatForsatHockeyRebel GardenGlyphodin A

Database identifiers

CAS: 1071-83-6
PubChem CID: 3496
DTXSID: DTXSID1024122
ChEMBL: CHEMBL95764
ChEBI: CHEBI:27744
UNII: 4632WW1X5A
EC Number: 213-997-4
Nikkaji: J3.359F

Properties

Computed structural properties

XLogP: -4.6
Topological polar surface area: 107 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 162

Related reactions

140 records

New reaction record

HRID 94870As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 104507As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 133856As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 185891As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 201119As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 231983As reactantuspto-grants-1989_07

HRID 279798As productuspto-grants-1986_05

HRID 279799As productuspto-grants-1986_05

Linked notes

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