CAS RN: 2255-14-3
alpha-D-Galactose1-phosphate(and/orunspecifiedsalts)
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS2255-14-3
- Purity/Analytical Methods: >99.0%
2255-14-3 / [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
Basic Information
CAS
2255-14-3
Multi CAS
No
Molecular Formula
C6H13O9P
Molecular Weight
260.140000
Exact Mass
260.029719
SMILES
C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
InChI
InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
InChIKey
HXXFSFRBOHSIMQ-FPRJBGLDSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
6
Molar refractivity
46.9
TPSA
156.91
LogP / Solubility
WLOGP
-3.1
MLOGP
-2.72
XLogP3
-3.8
Consensus LogP
-3.21
Log S (ESOL)
0.7
Class (ESOL)
Highly soluble
Log S (Ali)
0.55
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.87
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)
-6.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4
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