CAS 146369-72-4 | Cytidine 5'-(tetrahydrogen triphosphate), 2',3'-dideoxy-5-fluoro- (9CI) | CAS Number 146369-72-4

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146369-72-4 | Cytidine 5'-(tetrahydrogen triphosphate), 2',3'-dideoxy-5-fluoro- (9CI)

CAS No: 146369-72-4 Catalog No: AG001DXY MDL No:

Product Description

Catalog Number:

AG001DXY

Chemical Name:

Cytidine 5'-(tetrahydrogen triphosphate), 2',3'-dideoxy-5-fluoro- (9CI)

CAS Number:

146369-72-4

Molecular Formula:

C9H15FN3O10P3

Molecular Weight:

437.1492

IUPAC Name:

[(2S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium

InChI:

InChI=1S/C9H10FN3O10P3/c10-6-3-13(9(14)12-8(6)11)7-2-1-5(21-7)4-20-25(17)23-26(18,19)22-24(15)16/h3,5,7H,1-2,4H2,(H-3,11,12,14,15,16,18,19)/q-1/p+3/t5-,7+/m0/s1

InChI Key:

VTWJBGXLHZHDCY-CAHLUQPWSA-Q

SMILES:

O=P(OP(=O)(OP(=O)O)O)OC[C@@H]1CC[C@@H](O1)n1cc(F)c(nc1=O)N

Properties

Complexity:

730

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

434.98g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

435.134g/mol

Monoisotopic Mass:

434.98g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

187A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.2

Literature

Title	Journal
Inhibition of human immunodeficiency virus type 1 reverse transcriptase by the 5'-triphosphate beta enantiomers of cytidine analogs.	Antimicrobial agents and chemotherapy 19941001