Basic information
- CAS
84-52-6- Standard SMILES
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)n1- InChIKey
UOOOPKANIPLQPU-XVFCMESISA-N- Molecular formula
- C9H14N3O8P
- Average molar mass
- 323.2 g/mol
- Monoisotopic mass
- 323.05185141
Overview
3'-CMP is a cytidine 3'-phosphate compound with a monophosphate group at the 3'-position. It has a role as a metabolite, a mouse metabolite and an Escherichia coli metabolite. It is a cytidine 3'-phosphate and a pyrimidine ribonucleoside 3'-monophosphate. It is a conjugate acid of a 3'-CMP(2-).
Names & identifiers
- Preferred name
- 3'-Cmp
- IUPAC
- [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
- English name
- CYTIDINE 3'-MONOPHOSPHATE
- Molecular formula
- C9H14N3O8P
- Molecular weight
- 323.2
Names & synonyms
Cytidine 3'-monophosphate84-52-63'-Cytidylic acid3'-CMP6DZL5I6D4DCHEBI:53013((2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl) dihydrogen phosphate[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphateRefChem:5814123' CMP((3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl)methoxy)phosphonic acid201-537-5
Show more names
CYTIDINE 3Cytidilic acid b3-CYTIDYLIC ACID3'-Cytosylic acidCYTIDINE 3'-MONOPHOSCitidine 3'-phosphate3'(2')-Cytidylic Acid
Cytidine-3'-MonophosphateCytidine 3-monophosphateCytidine 3'-phosphateMFCD00006543Cytidine-3/'-MonophosphateCHEMBL258728[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphateST057096
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 531
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesCrystal structure
Collision Cross Section
170.98 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
169.8 Ų [M-H]-
Physicochemical properties
- Melting point
- 230 °C · 230 °C
- Boiling point
- 693.7 · 693.7±65.0 °C(Predicted)
- Density
- 2.15 · 2.15±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- PBS (pH 7.2): slightly soluble,
- pka
- 0.8 · 0.8, 4.28, 6.0(at 25℃)
- form
- solid
- Water Solubility
- Water: soluble
- Merck
- 2788 · 2788
- Stability
- Hygroscopic
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
- wgk
- 3
- hs_code
- 29349990
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Applications
UsesA metabolite of Cytidine (C998300). A highly specific phosphatase that acts on ADP-ribose 1''-phosphate, a metabolite of tRNA splicing in Saccharomyces cerevisiae.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers28 total
北京华美互利生物化工010-56205725 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Related reactions
1 records
Compound notes
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