CAS RN: 820-11-1
2-hydroxy-3-phosphonooxy-propanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250914 | 1mg / 5mg | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS820-11-1
- Purity/Analytical Methods: >99.0%
820-11-1 / 2-hydroxy-3-phosphonooxypropanoic acid
Basic Information
CAS
820-11-1
Multi CAS
Yes
Molecular Formula
C3H7O7P
Molecular Weight
186.060000
Exact Mass
185.992940
InChI
InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)
InChIKey
OSJPPGNTCRNQQC-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
31.64
TPSA
124.29
LogP / Solubility
WLOGP
-1.46
MLOGP
-1.29
XLogP3
-2.6
Consensus LogP
-1.78
Log S (ESOL)
0.19
Class (ESOL)
Highly soluble
Log S (Ali)
-0.03
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.14
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)
-4.89
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
2
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