CAS RN: 491-19-0
rel-(2R,3R,4S)-2-(Hydroxymethyl)tetrahydrofuran-3,4-diol
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.20260626 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: LINR902238
491-19-0 / (2R,3R,4S)-2-(hydroxymethyl)oxolane-3,4-diol
Basic Information
CAS
491-19-0
Multi CAS
Yes
Molecular Formula
C5H10O4
Molecular Weight
134.130000
Exact Mass
134.057909
InChI
InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4+,5+/m0/s1
InChIKey
KZVAAIRBJJYZOW-VPENINKCSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
28.84
TPSA
69.92
LogP / Solubility
WLOGP
-1.9
MLOGP
-1.68
XLogP3
-1.4
Consensus LogP
-1.66
Log S (ESOL)
0.59
Class (ESOL)
Highly soluble
Log S (Ali)
0.71
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.93
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)
-4.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
