CAS RN: 23313-12-4
L-ASCORBIC ACID 2-MONOPHOSPHATE TRI-CYCLOHEXYLAMMONIUM SALT
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.20250905 | 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
- Product code: starshine_CAS23313-12-4
- Purity/Analytical Methods: >99.0%
23313-12-4 / [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
Basic Information
CAS
23313-12-4
Multi CAS
No
Molecular Formula
C6H9O9P
Molecular Weight
256.100000
Exact Mass
255.998419
SMILES
C([C@@H]([C@@H]1C(=C(C(=O)O1)OP(=O)(O)O)O)O)O
InChI
InChI=1S/C6H9O9P/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13/h2,4,7-9H,1H2,(H2,11,12,13)/t2-,4+/m0/s1
InChIKey
MIJPAVRNWPDMOR-ZAFYKAAXSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
5
Molar refractivity
45.76
TPSA
153.75
LogP / Solubility
WLOGP
-1.86
MLOGP
-1.63
XLogP3
-2.9
Consensus LogP
-2.13
Log S (ESOL)
0.01
Class (ESOL)
Highly soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
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)
-5.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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