Cytidylyl-(3'5')-cytidine

[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

Also Known As: Cytidylyl-(3'5')-cytidine|Cytidylyl-(3'-5')-cytidine|KST-1A3190|EINECS 219-802-9|Cytidylyl-(3' #10132 5')-cytidine|[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl[5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate|[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate|[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate|Phosphoric acid 5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester 5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl ester

Molecular Formula	C18H25N6O12P
Molecular Weight	548.12683 g/mol
LogP	-6.5
Topological Polar Surface Area	273.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	548.12683
Monoisotopic Mass	548.12683
Heavy Atoms	37
Complexity	1100.0

Chemical Identifiers

CAS Number	27552-98-3
SMILES	C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)CO)O)O
InChIKey	PTLMIIUMLITBQT-UHFFFAOYSA-N