CAS RN: 9072-19-9
Fucoidan
Product Availability
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8 package records7 with current stock2 grade groups
- Product code: starshine_CAS9072-19-9
- Purity/Analytical Methods: >99.0%
9072-19-9 / [(2S,3S,4S,5S,6R)-4,5-dihydroxy-2,6-dimethyloxan-3-yl] hydrogen sulfate
Basic Information
CAS
9072-19-9
Multi CAS
Yes
Molecular Formula
C7H14O7S
Molecular Weight
242.250000
Exact Mass
242.046024
InChI
InChI=1S/C7H14O7S/c1-3-5(8)6(9)7(4(2)13-3)14-15(10,11)12/h3-9H,1-2H3,(H,10,11,12)/t3-,4+,5-,6+,7-/m1/s1
InChIKey
NLMDZXKCTWKRSQ-IBISWUOJSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
48.44
TPSA
113.29
LogP / Solubility
WLOGP
-1.3
MLOGP
-1.14
XLogP3
-1.5
Consensus LogP
-1.31
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.4
Class (SILICOS-IT)
Very 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)
-5.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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