Cytidin-3'-(dihydrogenphosphat)
5'-Cytidylic acid
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Grundinformationen
- CAS
63-37-6- Standard-SMILES
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1- InChIKey
IERHLVCPSMICTF-XVFCMESISA-N- Summenformel
- C9H14N3O8P
- Durchschnittliche Molmasse
- 323,2 g/mol
- Monoisotopische Masse
- 323,05185141
Überblick
Cytidine 5'-monophosphate is a pyrimidine ribonucleoside 5'-monophosphate having cytosine as the nucleobase. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a cytidine 5'-phosphate and a pyrimidine ribonucleoside 5'-monophosphate. It is a conjugate acid of a cytidine 5'-monophosphate(2-).
Namen und Bezeichner
- Bevorzugter Name
- 5'-Cytidylic acid
- IUPAC
- [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
- Lokaler Name
- Cytidin-3'-(dihydrogenphosphat)
- Englischer Name
- Cytidine 5’-monophosphate
- Summenformel
- C9H14N3O8P
- Molmasse
- 323.2
Namen und Synonyme
5'-CYTIDYLIC ACIDDTXSID508893225'-CYTIDYLIC ACID (USP-RS)5'-CYTIDYLIC ACID [USP-RS]RefChem:6771DTXCID701028585200-556-663-37-6Cytidine 5'-monophosphateCytidine monophosphatecytidylic acidCytidine-5'-monophosphate
Weitere Namen anzeigen
CMP5'-CYTIDINE MONOPHOSPHATECYTIDINE-5'-MONOPHOSPHORIC ACIDC-5-PC-5'-PCMP.H2
5'-CMPcytidylateCytidine 5'-phosphateCMP (nucleotide)Cytidine 5'-phosphoric acidCytidine 5'-monophosphoric acid((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphateCytidine 5'-(dihydrogenphosphate)
Datenbank-Bezeichner
- CAS
63-37-6- PubChem CID
- 6131
- DTXSID
DTXSID50889322
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -3,4
- Polarare Oberfläche (TPSA)
- 175 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 531
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesCrystal structure
Melting Point233 °C
Physical DescriptionSolid
Collision Cross Section
164.4 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
166.3 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
163 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine]
168.77 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
165.1 Ų [M-H]-
Physikochemische Eigenschaften
- Schmelzpunkt
- 222 °C · ~222 °C (dec.)
- Siedepunkt
- 678.1 · 678.1±65.0 °C(Predicted)
- Dichte
- 2.15 · 2.15±0.1 g/cm3(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 94.4% (17 of 18) of all reports.
Not Classified
Aggregated GHS information provided per 18 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
REACH registered substance: Cytidine 3'-(dihydrogen phosphate) (EC: 200-556-6)
5'-Cytidylic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
4.3 [mg/m3]
48 [mg/m3]
290 [mg/m3]
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29349990
- RTECS-Nr.
- HA3980000
- risk_code
- 20/21/22-36/37/38
- Toxizität
- LD50 intraperitoneal in mouse: > 1gm/kg
- hazard_code
- Xn,Xi
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysAmikacin Action Pathway
Verwendung und Herstellung
UsesUse (kg; approx.) in Germany (2009): >25
General Manufacturing Information5'-Cytidylic acid: ACTIVE
Anwendungen
VerwendenCytidine 5'-monophosphate (5'-CMP) is a key intermediate in the production of nucleotide derivatives and has been widely used in the food, agriculture and pharmaceutical industries.
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Nachgelagerte Produkte
Ergänzende Hinweise
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