Cytidylyl-(3'->5')-uridine
Basic information
- CAS
2382-64-1- Standard SMILES
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@H]2O)c(=O)n1- InChIKey
VSIFECIDUDPNRC-NCOIDOBVSA-N- Molecular formula
- C18H24N5O13P
- Average molar mass
- 549.4 g/mol
- Monoisotopic mass
- 549.11082283
Names & identifiers
- Preferred name
- Cytidylyl-(3'->5')-uridine
- IUPAC
- [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- English name
- cytidylyl-(3'->5')-uridine
- Molecular formula
- C18H24N5O13P
- Molecular weight
- 0
Names & synonyms
2382-64-1DTXSID801312650cytidylyl-(3'->5')-uridineRefChem:581433DTXCID201742437219-185-6Cytidylyl-(3'.5')-uridinecytidylyl(3'-5')uridineEINECS 219-185-6NSC 118091Cytidylyl-(3a(2)a5a(2))-uridine(2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Show more names
5'-O-(3'-Cytidylyl)uridine3'-O-(5'-Uridylyl)cytidine5'-Uridylic acid 3'-cytidyl ester(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl(((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)hydrogenphosphate
(2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl) hydrogen phosphate
Properties
Computed structural properties
- XLogP
- -6.1
- Topological polar surface area
- 263 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,080
Physicochemical properties
- form
- Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesCytidylyl-(3′,5′)-uridine is a dinucleotide derivative that can be used to study nucleotide metabolism[1].
Suppliers
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Related reactions
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Compound notes
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