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CAS 2073-35-0 L-IDURONIC ACID, SODIUM SALT molecular structure lightbox
CAS RN: 2073-35-0

L-IDURONIC ACID, SODIUM SALT

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250223 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2073-35-0
  • Purity/Analytical Methods: >99.0%
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2073-35-0 / (2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

Standard CAS: 2073-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2073-35-0
Multi CAS
No
Molecular Formula
C6H10O7
Molecular Weight
194.140000
Exact Mass
194.042653
SMILES
[C@@H]1([C@@H]([C@@H](OC([C@@H]1O)O)C(=O)O)O)O
InChI
InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5+/m0/s1
InChIKey
IAJILQKETJEXLJ-SKNVOMKLSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
5
Molar refractivity
36.54
TPSA
127.45

LogP / Solubility

WLOGP
-3.13
MLOGP
-2.75
XLogP3
-2.3
Consensus LogP
-2.73
Log S (ESOL)
0.99
Class (ESOL)
Highly soluble
Log S (Ali)
1.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.56
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)
-6.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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