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CAS 34044-53-6 D-dimannuronic acid disodium salt molecular structure lightbox
CAS RN: 34044-53-6

D-dimannuronic acid disodium salt

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250814 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS34044-53-6
  • Purity/Analytical Methods: >99.0%
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34044-53-6 / (2S,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Standard CAS: 34044-53-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34044-53-6
Multi CAS
No
Molecular Formula
C12H18O13
Molecular Weight
370.260000
Exact Mass
370.074741
InChI
InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2-,3+,4-,5-,6-,7-,8-,11+,12+/m0/s1
InChIKey
IGSYEZFZPOZFNC-DMAJVUHCSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
11
H-bond donors
8
Molar refractivity
69.72
TPSA
223.67

LogP / Solubility

WLOGP
-5.21
MLOGP
-4.57
XLogP3
-4.2
Consensus LogP
-4.66
Log S (ESOL)
1.41
Class (ESOL)
Highly soluble
Log S (Ali)
1.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.78
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)
-8.68

Drug-likeness / Medicinal Chemistry

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

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