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CAS 148296-47-3 GDP-L-Fuc.2Na molecular structure lightbox
CAS RN: 148296-47-3

GDP-L-Fuc.2Na

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6 package records4 with current stock2 grade groups
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Batchno.20260616 100mg Out of stock Inquiry
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Batchno.20260215 25mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250524 5mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS148296-47-3
  • Purity/Analytical Methods: >99.0%
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148296-47-3 / disodium;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate

Standard CAS: 148296-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148296-47-3
Multi CAS
No
Molecular Formula
C16H23N5Na2O15P2
Molecular Weight
633.300000
Exact Mass
633.046128
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O)O)O.[Na+].[Na+]
InChI
InChI=1S/C16H25N5O15P2.2Na/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27;;/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27);;/q;2*+1/p-2/t4-,5+,7+,8+,9+,10+,11-,14+,15+;;/m0../s1
InChIKey
BUWGXAMQXMUESR-JLTDHLQRSA-L

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
9
Fraction Csp3
0.69
Rotatable bonds
8
H-bond acceptors
19
H-bond donors
7
Molar refractivity
114.18
TPSA
317.15

LogP / Solubility

WLOGP
-10.86
MLOGP
-9.5
XLogP3
-10.86
Consensus LogP
-10.41
Log S (ESOL)
3.43
Class (ESOL)
Highly soluble
Log S (Ali)
3.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.27
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-14.29

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
10

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