CAS RN: 527-52-6
D-(+)-DIGITOXOSE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250514 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS527-52-6
- Purity/Analytical Methods: >99.0%
527-52-6 / (3S,4R,5R)-3,4,5-trihydroxyhexanal
Basic Information
CAS
527-52-6
Multi CAS
Yes
Molecular Formula
C6H12O4
Molecular Weight
148.160000
Exact Mass
148.073559
InChI
InChI=1S/C6H12O4/c1-4(8)6(10)5(9)2-3-7/h3-6,8-10H,2H2,1H3/t4-,5+,6-/m1/s1
InChIKey
JWFRNGYBHLBCMB-NGJCXOISSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
34.38
TPSA
77.76
LogP / Solubility
WLOGP
-1.32
MLOGP
-1.17
XLogP3
-1.8
Consensus LogP
-1.43
Log S (ESOL)
0.34
Class (ESOL)
Highly soluble
Log S (Ali)
0.18
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.01
Class (SILICOS-IT)
Very 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)
-4.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
ERYTHROMYCIN B
- CAS RN: 527-75-3
- Product Code: starshine_CAS527-75-3
- Purity/Analytical method: >99.0%
-
-
Herbacetin
- CAS RN: 527-95-7
- Product Code: starshine_CAS527-95-7
- Purity/Analytical method: >99.0%
-
-
DELPHINIDIN CHLORIDE
- CAS RN: 528-53-0
- Product Code: starshine_CAS528-53-0
- Purity/Analytical method: >99.0%
