CAS RN: 921-56-2
D-mannuronic acid sodium salt
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS921-56-2
- Purity/Analytical Methods: >99.0%
921-56-2 / sodium (2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoate
Basic Information
CAS
921-56-2
Multi CAS
Yes
Molecular Formula
C6H9NAO7
Molecular Weight
216.120000
Exact Mass
216.024597
InChI
InChI=1S/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h1-5,8-11H,(H,12,13);/q;+1/p-1/t2-,3-,4+,5+;/m1./s1
InChIKey
WNFHGZLVUQBPMA-MHFWOIHZSA-M
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
35.1
TPSA
138.12
LogP / Solubility
WLOGP
-7.62
MLOGP
-6.7
XLogP3
-7.62
Consensus LogP
-7.31
Log S (ESOL)
3.95
Class (ESOL)
Highly soluble
Log S (Ali)
4.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.66
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)
-9.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
-
-
-
-
D-Alanyl-D-alanine
- CAS RN: 923-16-0
- Product Code: starshine_CAS923-16-0
- Purity/Analytical method: >99.0%
