Cytidin-3'-(dihydrogenphosphat)

5'-Cytidylic acid

HCID 6131CAS 63-37-6
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Grundinformationen

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
323,05185104

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'-CMPCytidine 5'-phosphateCMP (nucleotide)Cytidine 5'-phosphoric acidcytidylateCytidine 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
ChEMBL
CHEMBL307679
ChEBI
CHEBI:17361
UNII
F469818O25
EC Number
200-556-6
Nikkaji
J60.869F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-3,4
Polarare Oberfläche (TPSA)
175 Ų
H-Brücken-Donoren
5
H-Brücken-Akzeptoren
8
Frei drehbare Bindungen
4
Schwere Atome
21

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesCrystal structure
Melting Point233 °C
Physical DescriptionSolid
Collision Cross Section · 5 Einträge

167 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]

167.1 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)
Brechungsindex
9.8 ° · 9.8 ° (C=1, 0.5mol/L Na2HPO4)
storage temp.
2 · 2-8°C
Löslichkeit
Water (Slightly, Heated)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

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 · 2 Einträge

Status: Active Update: 07-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22247

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) · 3 Einträge

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

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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: Cytidine 5'-monophosphate is a pyrimidine ribonucleoside 5'-monophosphate having cytosine as the nucleobase. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a pyrimidine ribonucleoside 5'-monophosphate and a cytidine 5'-phosphate. It is a conjugate acid of a cytidine 5'-monophosphate(2-).

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