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CAS 103192-39-8 GUANOSINE 5′-DIPHOSPHATE TRIS SALT molecular structure lightbox
CAS RN: 103192-39-8

GUANOSINE 5′-DIPHOSPHATE TRIS SALT

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260309 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: starshine_CAS103192-39-8
  • Purity/Analytical Methods: >99.0%
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103192-39-8 / 2-amino-2-(hydroxymethyl)propane-1,3-diol;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

Guanosine 5'-diphosphate tris salt | 2-amino-2-(hydroxymethyl)propane-1,3-diol;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate | GDP

Standard CAS: 103192-39-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103192-39-8
Multi CAS
Yes
Molecular Formula
C14H26N6O14P2
Molecular Weight
564.340000
Exact Mass
564.098224
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N.C(C(CO)(CO)N)O
InChI
InChI=1S/C10H15N5O11P2.C4H11NO3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21;5-4(1-6,2-7)3-8/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18);6-8H,1-3,5H2/t3-,5-,6-,9-;/m1./s1
InChIKey
YWMHXINREUQYRO-GWTDSMLYSA-N
Synonyms
Guanosine 5'-diphosphate tris salt 2-amino-2-(hydroxymethyl)propane-1,3-diol;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate GDP YWMHXINREUQYRO-GWTDSMLYSA-N GUANOSINE 5/'-DIPHOSPHATE TRIS SALT

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
9
Fraction Csp3
0.64
Rotatable bonds
9
H-bond acceptors
16
H-bond donors
11
Molar refractivity
115.57
TPSA
339.28

LogP / Solubility

WLOGP
-4.79
MLOGP
-4.17
XLogP3
-4.79
Consensus LogP
-4.58
Log S (ESOL)
0.09
Class (ESOL)
Highly soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very 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)
-9.56

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
6.5

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