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5-Uridineacetic Acid

CAT: 0572-TRC-U829935-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-U829935-250MGSize:250 mg
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CAS Number
20964-06-1
Synonyms
5-Carboxymethyluridine;
Hazard Statement
No Data Available
Smiles
O=C(N(C=C1CC(O)=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)NC1=O
Molecular Formula
C11H14N2O8
Molecular Weight
302.24
InChI
InChI=1S/C11H14N2O8/c14-3-5-7(17)8(18)10(21-5)13-2-4(1-6(15)16)9(19)12-11(13)20/h2,5,7-8,10,14,17-18H,1,3H2,(H,15,16)(H,12,19,20)/t5-,7-,8-,10-/m1/s1
Additionnal Information
IUPAC name: 2-(1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
Shipping Conditions
Room Temperature

Chemical Information

5-Carboxymethyluridine

5-(carboxymethyl)uridine is uridine bearing an additional carboxymethyl substituent at position 5.

CAS Number20964-06-1
PubChem CID3080720
IUPAC Name2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
Molecular FormulaC11H14N2O8
Molecular Weight302.24
XLogP-2.5
Topological Polar Surface Area157
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity504
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)CC(=O)O
InChI
InChI=1S/C11H14N2O8/c14-3-5-7(17)8(18)10(21-5)13-2-4(1-6(15)16)9(19)12-11(13)20/h2,5,7-8,10,14,17-18H,1,3H2,(H,15,16)(H,12,19,20)/t5-,7-,8-,10-/m1/s1
InChIKey
FAWQJBLSWXIJLA-VPCXQMTMSA-N
Chemical Structure
2D Structure
2D structure of 5-Carboxymethyluridine
CAS: 20964-06-1
CID: 3080720
Formula: C11H14N2O8
MW: 302.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.24
XLogP3-2.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass302.07501541
Monoisotopic Mass302.07501541
Topological Polar Surface Area157 Ų
Heavy Atom Count21
Formal Charge0
Complexity504
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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