Basic information
- CAS
633-90-9- Standard SMILES
Nc1ccn([C@@H]2O[C@H](CO)[C@H]3OP(=O)(O)O[C@H]32)c(=O)n1- InChIKey
NMPZCCZXCOMSDQ-XVFCMESISA-N- Molecular formula
- C9H12N3O7P
- Average molar mass
- 305.18 g/mol
- Monoisotopic mass
- 305.04128673
Overview
2',3'-cyclic CMP is a 2',3'-cyclic pyrimidine nucleotide in which cytidine is the parent nucleoside. It has a role as a Mycoplasma genitalium metabolite, a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a 2',3'-cyclic CMP(1-).
Names & identifiers
- Preferred name
- Cytidine, cyclic 2',3'-(hydrogen phosphate)
- IUPAC
- 1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-aminopyrimidin-2-one
- English name
- cytidine 2',3'-(hydrogen phosphate)
- Molecular formula
- C9H12N3O7P
- Molecular weight
- 305.18
Names & synonyms
Cifostodine633-90-9CifostodinaCifostodinum74B4VJV0WVCitidine cyclic 2',3'-(hydrogen phosphate)1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-aminopyrimidin-2-oneCHEBI:27652DTXSID90212690cytidine 2',3'-phosphateCytipos1-((3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro(3,4-d)(1,3,2)dioxaphosphol-4-yl)-4-aminopyrimidin-2-one
Show more names
2',3'-cCMPCyd-2',3'-P2',3'-cyclic CMP
RefChem:126118Cytidine, cyclic 2',3'-(hydrogen phosphate)DTXCID20135181cytidine cyclic 2,3 monophosphatecytidine cyclic-2',3'-monophosphateCyclic 2', 3'-(hydrogen phosphate)cytidine211-198-5Cytidine 2',3'-(hydrogen phosphate)
Database identifiers
- CAS
633-90-9
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 550
Physicochemical properties
- Boiling point
- 568.5 · 568.5±60.0 °C(Predicted)
- Density
- 2.28 · 2.28±0.1 g/cm3(Predicted)
- pka
- 0.92 · 0.92±0.60(Predicted)
- FDA UNII
- 74 B4VJV0WV · 74B4VJV0WV
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers3 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: A 2',3'-cyclic pyrimidine nucleotide in which cytidine is the parent nucleoside.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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