CAS RN: 5793-89-5
D-SACCHARIC ACID CALCIUM SALT TETRAHYDRATE
Product Availability
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS5793-89-5
- Purity/Analytical Methods: >99.0%
5793-89-5 / calcium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate;tetrahydrate
Basic Information
CAS
5793-89-5
Multi CAS
Yes
Molecular Formula
C6H16CAO12
Molecular Weight
320.260000
Exact Mass
320.026767
InChI
InChI=1S/C6H10O8.Ca.4H2O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;4*1H2/q;+2;;;;/p-2/t1-,2-,3-,4+;;;;;/m0...../s1
InChIKey
ZQWFSIZRQANUDA-WQMSYZFBSA-L
Physical Properties
Physical Description
Odorless crystals or white powder; [Merck Index] White powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
54.25
TPSA
287.18
LogP / Solubility
WLOGP
-9.75
MLOGP
-8.57
XLogP3
-9.75
Consensus LogP
-9.36
Log S (ESOL)
4.65
Class (ESOL)
Highly soluble
Log S (Ali)
4.85
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.75
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)
-11.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
