CAS RN: 208584-52-5
D-myo-Inositol-1,3-diphosphate (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.20260430 | 500μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS208584-52-5
- Purity/Analytical Methods: >99.0%
208584-52-5 / disodium;[(1S,2R,4S,5R)-2,3,4,6-tetrahydroxy-5-[hydroxy(oxido)phosphoryl]oxycyclohexyl] hydrogen phosphate
Basic Information
CAS
208584-52-5
Multi CAS
No
Molecular Formula
C6H12Na2O12P2
Molecular Weight
384.080000
Exact Mass
383.959938
SMILES
[C@H]1([C@H](C([C@H]([C@@H](C1O)O)OP(=O)(O)[O-])O)OP(=O)(O)[O-])O.[Na+].[Na+]
InChI
InChI=1S/C6H14O12P2.2Na/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16;;/h1-10H,(H2,11,12,13)(H2,14,15,16);;/q;2*+1/p-2/t1?,2-,3+,4?,5+,6-;;
InChIKey
QGQLGMXVAUVPIQ-MSPDDEDBSA-L
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
6
Molar refractivity
53.42
TPSA
220.1
LogP / Solubility
WLOGP
-10.86
MLOGP
-9.53
XLogP3
-10.86
Consensus LogP
-10.42
Log S (ESOL)
4.88
Class (ESOL)
Highly soluble
Log S (Ali)
5.13
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.37
Class (SILICOS-IT)
Highly 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)
-12.77
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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