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3'-UMP (disodium)

CAT: 0804-HY-129963-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-129963-01Size:5 mg
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Description
3'-UMP disodium is a nucleotide, that is a component of ribonucleic acid (RNA) and would be converted to uracil in rat jejunum[1].
CAS Number
35170-03-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
DNA/RNA Synthesis; Endogenous Metabolite
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/3-ump-disodium.html
Purity
98.92
Solubility
H2O : 125 mg/mL (ultrasonic)
Smiles
OC[C@@H]1[C@@H](OP(O[Na])(O[Na])=O)[C@@H](O)[C@H](N(C(N2)=O)C=CC2=O)O1
Molecular Formula
C9H11N2Na2O9P
Molecular Weight
368.14
Precautions
H302, H315, H319, H335
References & Citations
[1]Bronk JR, et al., The transport and metabolism of the uridine mononucleotides by rat jejunum in vitro. J Physiol. 1989 Jan;408:129-35.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

3'-Ump(2-)

3'-UMP(2-) is a nucleoside 3'-phosphate(2) obtained by deprotonation of the phosphate OH groups of uridine 3'-monophosphate (UMP). It is the predominant species at physiological pH. It has a role as a human metabolite. It is a conjugate base of a 3'-UMP.

CAS Number35170-03-7
PubChem CID23421206
IUPAC Name[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate
Molecular FormulaC9H11N2O9P-2
Molecular Weight322.17
XLogP-3.8
Topological Polar Surface Area172
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge-2
Complexity506
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])[O-])O
InChI
InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1
InChIKey
FOGRQMPFHUHIGU-XVFCMESISA-L
Chemical Structure
2D Structure
2D structure of 3'-Ump(2-)
CAS: 35170-03-7
CID: 23421206
Formula: C9H11N2O9P-2
MW: 322.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.17
XLogP3-3.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass322.02021693
Monoisotopic Mass322.02021693
Topological Polar Surface Area172 Ų
Heavy Atom Count21
Formal Charge-2
Complexity506
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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