CAS RN: 2068-89-5
L-myo-Inositol-1,4,5-triphosphate (sodium salt)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251219 | 500μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2068-89-5
- Purity/Analytical Methods: >99.0%
2068-89-5 / [(1S,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
Basic Information
CAS
2068-89-5
Multi CAS
No
Molecular Formula
C6H15O15P3
Molecular Weight
420.100000
Exact Mass
419.962381
SMILES
[C@@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
InChI
InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m0/s1
InChIKey
MMWCIQZXVOZEGG-HOZKJCLWSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
9
Molar refractivity
68.77
TPSA
260.97
LogP / Solubility
WLOGP
-3.48
MLOGP
-3.04
XLogP3
-7
Consensus LogP
-4.51
Log S (ESOL)
0.15
Class (ESOL)
Highly soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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- CAS RN: 20689-02-5
- Product Code: starshine_CAS20689-02-5
- Purity/Analytical method: >99.0%
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