CAS RN: 67884-27-9
n-butyl-β-D-fructopyranoside
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS67884-27-9
- Purity/Analytical Methods: >99.0%
67884-27-9 / 2-butoxy-2-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
67884-27-9
Multi CAS
Yes
Molecular Formula
C10H20O6
Molecular Weight
236.260000
Exact Mass
236.125988
InChI
InChI=1S/C10H20O6/c1-2-3-4-15-10(6-11)9(14)8(13)7(12)5-16-10/h7-9,11-14H,2-6H2,1H3/t7-,8-,9+,10-/m1/s1
InChIKey
NAJPAGUETSZHOG-DOLQZWNJSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
4
Molar refractivity
54.65
TPSA
99.38
LogP / Solubility
WLOGP
-1.4
MLOGP
-1.22
XLogP3
-1
Consensus LogP
-1.21
Log S (ESOL)
-0.1
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
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)
-5.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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