[email protected]
CAS 5996-00-9 6-O-BETA-D-GLUCOPYRANOSYL-D-GLUCOPYRANOSE molecular structure lightbox
CAS RN: 5996-00-9

6-O-BETA-D-GLUCOPYRANOSYL-D-GLUCOPYRANOSE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250923 1g Out of stock Inquiry
  • Product code: starshine_CAS5996-00-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

5996-00-9 / 6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

Standard CAS: 5996-00-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5996-00-9
Multi CAS
Yes
Molecular Formula
C12H22O11
Molecular Weight
342.300000
Exact Mass
342.116212
InChI
InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
InChIKey
DLRVVLDZNNYCBX-LIZSDCNHSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
11
H-bond donors
8
Molar refractivity
68.62
TPSA
189.53

LogP / Solubility

WLOGP
-5.4
MLOGP
-4.73
XLogP3
-4.7
Consensus LogP
-4.94
Log S (ESOL)
1.7
Class (ESOL)
Highly soluble
Log S (Ali)
1.53
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.11
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)
-8.64

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
Yes
Synthetic Accessibility
7.5

Customers Also Viewed

Get In Touch

Contact Us