[email protected]
CAS 17598-82-2 L-Tagatose molecular structure lightbox
CAS RN: 17598-82-2

L-Tagatose

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 10mg In stock Shanghai, Hebei Inquiry
  • Product code: ICTT2535
  • Purity/Analytical Methods: >98.0%(HPLC)
GET A QUOTE

17598-82-2 / (3R,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one

Standard CAS: 17598-82-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17598-82-2
Multi CAS
No
Molecular Formula
C6H12O6
Molecular Weight
180.160000
Exact Mass
180.063388
SMILES
C([C@@H]([C@H]([C@H](C(=O)CO)O)O)O)O
InChI
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m0/s1
InChIKey
BJHIKXHVCXFQLS-LFRDXLMFSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
5
Molar refractivity
37.2
TPSA
118.22

LogP / Solubility

WLOGP
-3.38
MLOGP
-2.97
XLogP3
-3.2
Consensus LogP
-3.18
Log S (ESOL)
1.5
Class (ESOL)
Highly soluble
Log S (Ali)
1.4
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.37
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)
-6.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us