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CAS 73264-44-5 Sucrose octasulfate Potassium salt molecular structure lightbox
CAS RN: 73264-44-5

Sucrose octasulfate Potassium salt

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS73264-44-5
  • Purity/Analytical Methods: >99.0%
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73264-44-5 / octapotassium;[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-disulfonatooxy-2,5-bis(sulfonatooxymethyl)oxolan-2-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate

Standard CAS: 73264-44-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73264-44-5
Multi CAS
Yes
Molecular Formula
C12H14K8O35S8
Molecular Weight
1287.500000
Exact Mass
1285.417783
InChI
InChI=1S/C12H22O35S8.8K/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18;;;;;;;;/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;/q;8*+1/p-8/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;/m1......../s1
InChIKey
XISWAUUBQBEDFB-QRDGSJRXSA-F

Computed Properties

Structural Parameters

Heavy atom count
63
Fraction Csp3
1
Rotatable bonds
21
H-bond acceptors
35
Molar refractivity
137.15
TPSA
559.13

LogP / Solubility

WLOGP
-33.49
MLOGP
-29.34
XLogP3
-33.49
Consensus LogP
-32.11
Log S (ESOL)
14.66
Class (ESOL)
Highly soluble
Log S (Ali)
14.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
17.25
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)
-34.35

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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