CAS RN: 158112-53-9
D-Ribofuranose, 5-deoxy-2,3-O-(1-methylethylidene)-
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.20260422 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS158112-53-9
- Purity/Analytical Methods: >99.0%
158112-53-9 / (3aR,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
Basic Information
CAS
158112-53-9
Multi CAS
No
Molecular Formula
C8H14O4
Molecular Weight
174.190000
Exact Mass
174.089209
SMILES
C[C@@H]1[C@@H]2[C@H](C(O1)O)OC(O2)(C)C
InChI
InChI=1S/C8H14O4/c1-4-5-6(7(9)10-4)12-8(2,3)11-5/h4-7,9H,1-3H3
InChIKey
GWCMBFPHOUQTAT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.38
TPSA
47.92
LogP / Solubility
WLOGP
0.24
MLOGP
0.21
XLogP3
0.1
Consensus LogP
0.18
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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