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CAS 4120-73-4 4-O-Methyl-D-glucuronic Acid molecular structure lightbox
CAS RN: 4120-73-4

4-O-Methyl-D-glucuronic Acid

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260415 1mg Out of stock Inquiry
Batchno.20260330 5mg Out of stock Inquiry
  • Product code: starshine_CAS4120-73-4
  • Purity/Analytical Methods: >99.0%
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4120-73-4 / (2S,3S,4R,5R)-2,4,5-trihydroxy-3-methoxy-6-oxohexanoic acid

Standard CAS: 4120-73-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4120-73-4
Multi CAS
Yes
Molecular Formula
C7H12O7
Molecular Weight
208.170000
Exact Mass
208.058303
InChI
InChI=1S/C7H12O7/c1-14-6(5(11)7(12)13)4(10)3(9)2-8/h2-6,9-11H,1H3,(H,12,13)/t3-,4+,5-,6-/m0/s1
InChIKey
QGGOCWIJGWDKHC-FSIIMWSLSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
42.52
TPSA
124.29

LogP / Solubility

WLOGP
-2.63
MLOGP
-2.32
XLogP3
-2
Consensus LogP
-2.32
Log S (ESOL)
0.92
Class (ESOL)
Highly soluble
Log S (Ali)
0.63
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.45
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)
-5.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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