{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

Basic Information

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CAS Number

63-37-6

Molecular Formula

C9H14N3O8P

Molecular Weight

323.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Melting Point

233 ºC

Boiling Point

678°C at 760 mmHg

Density

2.1550

Flash Point

363.9°C

Solubility

Water

Refractive Index

9.8 ° (C=1, 0.5mol/L Na2HPO4)

SMILES

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C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O

InChI

InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

InChIKey

IERHLVCPSMICTF-XVFCMESISA-N

LogP

-2.446

Topological Polar Surface Area

177.35999999999999 Å²

Hydrogen Bond Donor/Acceptor

6 / 11

Complexity

531

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

5-cytidylate
Cytidine 3'-(dihydrogen phosphate)
BDBM50310540
((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
CYTOSINE 5'-MONOPHOSPHATE
Cytidine mono(dihydrogen phosphate)
5'-Cytidylic acid (8CI,9CI)
5'-CYTIDYLIC ACID (USP-RS)
CHEBI:17361
BP-58604
EINECS 200-556-6
s5374
FN5
Epitope ID:196257
C00055
5'-Cytidylic acid; Cytidine monophosphate, Cytidine 5'-phosphate
C5P
cytidine mono phosphate
Cytidine 5'-monophosphate
cytidine-P
4-25-00-03673 (Beilstein Handbook Reference)
Cytodine monophosphate; (Cytidine 5-monophosphate free acid)
Cytidine 5'-phosphorate
1beta-Ribofuranosylcytosine 5'-phosphate, d-
LS-118254
5,(S)
Cytidine 5'-monophosphoric acid
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
NSC 120953
SCHEMBL16189
C-5'-P

MDL Number

MFCD00006544

Customs Code

29349990

FAQ

What is {[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid (CAS: 63-37-6)?

This compound, with the CAS number 63-37-6, is a phosphonic acid derivative characterized by its complex stereochemistry and functional groups. It has the chemical formula C10H17N3O10P and is known for its potential biological activity. The molecule contains a dihydroxyoxolan-2-yl group, an amino group, and a phosphonic acid moiety, making it relevant in various chemical and pharmaceutical contexts.

What are the main uses of {[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid (CAS: 63-37-6)?

The compound is primarily used in pharmaceutical research for its potential as a bioactive molecule. It may serve as a precursor in the development of drugs targeting metabolic pathways or enzyme inhibition. Additionally, it is studied for applications in biochemical assays and as a component in synthetic chemistry for creating complex organic molecules.

Is {[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid (CAS: 63-37-6) safe?

Safety data for this compound is limited, but as with many phosphonic acid derivatives, it should be handled with care. It is advisable to use appropriate personal protective equipment (PPE) and follow standard lab safety protocols. Further research is needed to fully assess its toxicity and long-term health effects, and it should be used in compliance with local regulations and safety standards.

How should {[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid (CAS: 63-37-6) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is sensitive to moisture and light, so it should be kept in airtight containers. Storage in a well-ventilated area is recommended, and it should be protected from prolonged exposure to air to maintain stability and prevent degradation.