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DCTPαS

CAT: 0013-GTR19279877-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279877-01Size:50 mg
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Description
DCTPαS [2'-Deoxycytidine-5'-O- (1-thiotriphosphate) ] is a monomeric precursor used in nucleic acid synthesis.
CAS Number
64145-29-5
Smiles
O=C1N (C=CC (N) =N1) [C@@H]2O[C@H] (COP (OP (OP (=O) (O) O) (=O) O) (=O) S) [C@@H] (O) C2
Molecular Formula
C9H16N3O12P3S
Molecular Weight
483.22
Notes
For research use only.

Chemical Information

Deoxycytidine thiotriphosphate

RN given refers to cpd without isomeric designation.

CAS Number64145-29-5
PubChem CID125113
IUPAC Name[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
Molecular FormulaC9H16N3O12P3S
Molecular Weight483.23
XLogP-3.9
Topological Polar Surface Area263
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity828
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C9H16N3O12P3S/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(22-8)4-21-27(20,28)24-26(18,19)23-25(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,28)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+,27?/m0/s1
InChIKey
CBYOGVVSAABFCZ-JURLQNGUSA-N
Chemical Structure
2D Structure
2D structure of Deoxycytidine thiotriphosphate
CAS: 64145-29-5
CID: 125113
Formula: C9H16N3O12P3S
MW: 483.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.23
XLogP3-3.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass482.96675512
Monoisotopic Mass482.96675512
Topological Polar Surface Area263 Ų
Heavy Atom Count28
Formal Charge0
Complexity828
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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