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5-Propargylamino-CTP

CAT: 0013-GTR19207231Size: 50 µLDry Ice: NoHazardous: No
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CAT#:0013-GTR19207231Size:50 µL
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Description
5-Propargylamino-CTP
CAS Number
150718-26-6
Product Name Alternative
5-Propargylamino-cytidine-5'-triphosphate, Sodium salt
Concentration
50 mM-55 mM
Purity
≥ 95% (HPLC)
Form
Solution in water; Color: colorless to slightly yellow; pH: 7.5 ± 0.5
Smiles
O[C@H]1[C@H] (n2cc (C#CCN) c (N) nc2=O) O[C@H] (COP (=O) (O) OP (=O) (O) OP (=O) (O) O) [C@H]1O
Molecular Formula
C12H19N4O14P3
Molecular Weight
Theoretical MW: 536.01 g/mol (free acid) ; Detected MW: 536.22 g/mol (free acid)
Storage Conditions
Store at -20 °C. Short term exposure (up to 1 week cumulative) to ambient temperature possible
Notes
For research use only.
Applications Notes
Spectroscopic Propertie: λmax 298 nm, ε 8.1 L mmol-1 cm-1 (Tris-HCl, pH 7.5) .

Chemical Information

[[(2R,3S,4R,5R)-5-[4-amino-5-(3-aminoprop-1-ynyl)-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CAS Number150718-26-6
PubChem CID121487800
IUPAC Name[[(2R,3S,4R,5R)-5-[4-amino-5-(3-aminoprop-1-ynyl)-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC12H19N4O14P3
Molecular Weight536.22
XLogP-9.2
Topological Polar Surface Area294
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity1060
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)C#CCN
InChI
InChI=1S/C12H19N4O14P3/c13-3-1-2-6-4-16(12(19)15-10(6)14)11-9(18)8(17)7(28-11)5-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,7-9,11,17-18H,3,5,13H2,(H,23,24)(H,25,26)(H2,14,15,19)(H2,20,21,22)/t7-,8-,9-,11-/m1/s1
InChIKey
ZLFJKKIBHNZDAM-TURQNECASA-N
Chemical Structure
2D Structure
2D structure of [[(2R,3S,4R,5R)-5-[4-amino-5-(3-aminoprop-1-ynyl)-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CAS: 150718-26-6
CID: 121487800
Formula: C12H19N4O14P3
MW: 536.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.22
XLogP3-9.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Exact Mass536.01106229
Monoisotopic Mass536.01106229
Topological Polar Surface Area294 Ų
Heavy Atom Count33
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
NU-831l5-Propargylamino-CTP
NU-831-DNP5-Propargylamino-CTP-DNP
NU-831-CY35-Propargylamino-CTP-Cy3
JBS-NU-831-CY55-Propargylamino-CTP – Cy5
NU-831-CY55-Propargylamino-CTP-Cy5
JBS-NU-831-CY35-Propargylamino-CTP – Cy3
NU-831-MNT5-Propargylamino-CTP-MANT
JBS-NU-831-MNT5-Propargylamino-CTP – MANT
NU-831-5FM5-Propargylamino-CTP-5-FAM
JBS-NU-831-5FM5-Propargylamino-CTP – 5-FAM

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