CAS RN: 210488-61-2
1D-MYO-INOSITOL-1,3,4,5-TETRAKISPHOSPHATE, (NA+ 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.20260106 | 500μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS210488-61-2
- Purity/Analytical Methods: >99.0%
210488-61-2 / octasodium;[(1R,2S,4S,5S)-2,4-dihydroxy-3,5,6-triphosphonatooxycyclohexyl] phosphate
Basic Information
CAS
210488-61-2
Multi CAS
No
Molecular Formula
C6H8Na8O18P4
Molecular Weight
675.930000
Exact Mass
675.784266
SMILES
[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)([O-])[O-])O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C6H16O18P4.8Na/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14;;;;;;;;/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;;/q;8*+1/p-8/t1-,2-,3?,4-,5+,6?;;;;;;;;/m0......../s1
InChIKey
QYQMPPDYTHNACQ-QAVKKEKOSA-F
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
18
H-bond donors
2
Molar refractivity
61.93
TPSA
330.14
LogP / Solubility
WLOGP
-32.39
MLOGP
-28.45
XLogP3
-32.39
Consensus LogP
-31.08
Log S (ESOL)
16.9
Class (ESOL)
Highly soluble
Log S (Ali)
18.28
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
21.87
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)
-29.84
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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