cyclic CMP
Basic information
- CAS
3616-08-8- Standard SMILES
Nc1ccn([C@@H]2O[C@@H]3COP(=O)(O)O[C@H]3[C@H]2O)c(=O)n1- InChIKey
WCPTXJJVVDAEMW-XVFCMESISA-N- Molecular formula
- C9H12N3O7P
- Average molar mass
- 305.18 g/mol
- Monoisotopic mass
- 305.04128673
Overview
3',5'-cyclic CMP is a 3',5'-cyclic pyrimidine nucleotide having cytosine as the nucleobase. It has a role as a human metabolite. It is a conjugate acid of a 3',5'-cyclic CMP(1-).
Names & identifiers
- Preferred name
- cyclic CMP
- IUPAC
- 1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-aminopyrimidin-2-one
- English name
- CYTIDINE 3':5'-CYCLIC MONOPHOSPHATE
- Molecular formula
- C9H12N3O7P
- Molecular weight
- 305.18
Names & synonyms
CYCLIC CMP3616-08-8cCMP3',5'-Cyclic CMPCytidine, cyclic 3',5'-(hydrogen phosphate)Cytidine 3',5'-cyclic monophosphateCMP, Cycliccytidine 3',5'-(hydrogen phosphate)1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-aminopyrimidin-2-oneCHEBI:17065Cytidine cyclic-3',5'-monophosphate1-((4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo(3,2-d)(1,3,2)dioxaphosphinin-6-yl)-4-aminopyrimidin-2-one
Show more names
3:5-CCMPcycliccmp3',5'-CCMPCytidine 3',5'-phosphoric acidCYTIDINE3',5'-CYCLIC MONOPHOSPHATECYTIDINE-3',5'-CYCLIC MONOPHOSPHATECYTIDINE 3':5'-CYCLIC MONOPHOSPHATE3',5'-cyclic cytidine monophosphateCYTIDINE 3':5'-CYCLIC MONOPHOSPHATE FRE&
4-amino-1-((1S,6R,8R,9R)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^(5)-phosphabicyclo(4.3.0)nonan-8-yl)pyrimidin-2-one4-amino-1-[(1S,6R,8R,9R)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]pyrimidin-2-oneRefChem:388905Cytidine Cyclic MonophosphateCyclic Monophosphate, CytidineMonophosphate, Cytidine CyclicCytidine Cyclic 3,5 MonophosphateCytidine Cyclic 3',5' Monophosphate
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 550
Physicochemical properties
- Boiling point
- 580.6 · 580.6±60.0 °C(Predicted)
- Density
- 2.28 · 2.28±0.1 g/cm3(Predicted)
- storage temp.
- 0 °C · Store at 0°C
- pka
- 0.97 · 0.97±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: A 3',5'-cyclic pyrimidine nucleotide having cytosine as the nucleobase.
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Compound notes
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