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CAS 644-76-8 1,6-ANHYDRO-BETA-D-GALACTOPYRANOSE molecular structure lightbox
CAS RN: 644-76-8

1,6-ANHYDRO-BETA-D-GALACTOPYRANOSE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250816 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS644-76-8
  • Purity/Analytical Methods: >99.0%
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644-76-8 / 6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

Standard CAS: 644-76-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
644-76-8
Multi CAS
Yes
Molecular Formula
C6H10O5
Molecular Weight
162.140000
Exact Mass
162.052823
InChI
InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2
InChIKey
TWNIBLMWSKIRAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
32.63
TPSA
79.15

LogP / Solubility

WLOGP
-2.18
MLOGP
-1.92
XLogP3
-2.1
Consensus LogP
-2.07
Log S (ESOL)
0.53
Class (ESOL)
Highly soluble
Log S (Ali)
0.68
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.09
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)
-5.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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