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Cytidine 5-triphosphate

CAT: 0607-B7880-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0607-B7880-500Size:500 mg
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Description
A pyrimidine nucleoside triphosphate, a substrate in the synthesis of RNA
CAS Number
65-47-4
Product Name Alternative
((2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1(4H)-yl)tetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
Purity
0.9997
Form
A solid
Solubility
≥48.3 mg/mL in H2O; insoluble in EtOH; insoluble in DMSO
Smiles
N=C1C=CN(C(O)=N1)[C@@]2([H])[C@@](O)([H])[C@@](O)([H])[C@@](O2)([H])COP(O)(OP(O)(OP(O)(O)=O)=O)=O
Molecular Formula
C9H16N3O14P3
Molecular Weight
483.16
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

5'-Ctp

CTP is a cytidine 5'-phosphate and a pyrimidine ribonucleoside 5'-triphosphate. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a CTP(4-) and a CTP(3-).

CAS Number65-47-4
PubChem CID6176
IUPAC Name[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC9H16N3O14P3
Molecular Weight483.16
XLogP-5.6
Topological Polar Surface Area268
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity855
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
InChI
InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey
PCDQPRRSZKQHHS-XVFCMESISA-N
Chemical Structure
2D Structure
2D structure of 5'-Ctp
CAS: 65-47-4
CID: 6176
Formula: C9H16N3O14P3
MW: 483.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.16
XLogP3-5.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass482.98451319
Monoisotopic Mass482.98451319
Topological Polar Surface Area268 Ų
Heavy Atom Count29
Formal Charge0
Complexity855
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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