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CAS 80971-60-4 butyl fructofuranoside molecular structure lightbox
CAS RN: 80971-60-4

butyl fructofuranoside

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260310 1mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS80971-60-4
  • Purity/Analytical Methods: >99.0%
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80971-60-4 / (2R,3S,4S,5R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol

Standard CAS: 80971-60-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80971-60-4
Multi CAS
No
Molecular Formula
C10H20O6
Molecular Weight
236.260000
Exact Mass
236.125988
InChI
InChI=1S/C10H20O6/c1-2-3-4-15-10(6-12)9(14)8(13)7(5-11)16-10/h7-9,11-14H,2-6H2,1H3/t7-,8-,9+,10-/m1/s1
InChIKey
XRGRZXPJJVQDJO-DOLQZWNJSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
54.65
TPSA
99.38

LogP / Solubility

WLOGP
-1.4
MLOGP
-1.22
XLogP3
-0.5
Consensus LogP
-1.04
Log S (ESOL)
-0.03
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
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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