CAS RN: 1185107-63-4
Glyphosate-13C2,15N
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260401 | 1mg | In stock | Inquiry |
- Product code: starshine_CAS1185107-63-4
- Purity/Analytical Methods: >99.0%
1185107-63-4 / 2-(phosphonomethyl(15N)amino)acetic acid
glyphosate | N-(Phosphonomethyl)glycine | Glyphosphate
Basic Information
CAS
1185107-63-4
Multi CAS
Yes
Molecular Formula
C3H8NO5P
Molecular Weight
172.050000
Exact Mass
172.017754
SMILES
C([15NH][13CH2][13C](=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+1,3+1,4+1
InChIKey
XDDAORKBJWWYJS-QZJDPFNNSA-N
Synonyms
glyphosate
N-(Phosphonomethyl)glycine
Glyphosphate
N-Phosphomethylglycine
Glyfos
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
4
Molar refractivity
32.55
TPSA
106.86
LogP / Solubility
WLOGP
-1.2
MLOGP
-1.06
XLogP3
-4.6
Consensus LogP
-2.29
Log S (ESOL)
0.13
Class (ESOL)
Highly soluble
Log S (Ali)
-0.08
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P362+P364, P391, and P501
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