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94825-44-2 molecular structure
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tetralithium(1+) ion [(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[dioxido(sulfanylidene)-λ5-phosphanyl phosphonato]oxy}phosphonate

ChemBase ID: 133362
Molecular Formular: C10H12Li4N5O13P3S
Molecular Mass: 562.978263
Monoisotopic Mass: 563.00053456
SMILES and InChIs

SMILES:
[Li+].[Li+].[Li+].[Li+].c1nc2c(=O)[nH]c(nc2n1[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)([O-])OP(=O)([O-])OP(=S)([O-])[O-])O)O)N
Canonical SMILES:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=S)([O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O.[Li+].[Li+].[Li+].[Li+]
InChI:
InChI=1S/C10H16N5O13P3S.4Li/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32;;;;/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18);;;;/q;4*+1/p-4/t3-,5-,6-,9-;;;;/m1..../s1
InChIKey:
AMQXJFWJOAWCPV-ZVQJTLEUSA-J

Cite this record

CBID:133362 http://www.chembase.cn/molecule-133362.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetralithium(1+) ion [(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[dioxido(sulfanylidene)-λ5-phosphanyl phosphonato]oxy}phosphonate
IUPAC Traditional name
tetralithium(1+) ion [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [dioxido(sulfanylidene)-λ5-phosphanyl phosphonato]oxyphosphonate
Synonyms
GTPγS tetralithium salt
GTP-γ-S-Li4
Guanosine 5′-O-(3-thiotriphosphate) tetralithium salt
Guanosine 5′-[γ-thio]triphosphate tetralithium salt
CAS Number
94825-44-2
EC Number
305-606-1
MDL Number
MFCD00135151
Beilstein Number
8182249
PubChem SID
162227639
24895344
PubChem CID
16219452

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
G8634 external link Add to cart Please log in.
Data Source Data ID
PubChem 16219452 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 0.9068175  H Acceptors 13 
H Donor LogD (pH = 5.5) -9.706276 
LogD (pH = 7.4) -11.171074  Log P -2.8171282 
Molar Refractivity 100.7439 cm3 Polarizability 41.085682 Å3
Polar Surface Area 289.06 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: ≥75 mg/mL (Solutions are very unstable; prepare immediately prior to use.) expand Show data source
Apperance
off-white powder expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥75% (HPLC) expand Show data source
Shipped in
dry ice expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - G8634 external link
Biochem/physiol Actions
GTP-γ-S is a non-hydrolyzable GTP analog, known for its role as a G-protein activator. It has recently been shown to protect proteins from proteolytic degradation, stimulate GLUT4 translocation in a tyrosine kinase-dependent manner, stimulate phospholipases and induce actin polymerization in vitro.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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