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UMP-morpholidate

CAT: 0013-GTR19224750-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224750-01Size:25 mg
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Description
UMP-morpholidate is a key coupling reagent used in the chemical synthesis of nucleotide analogs and other pharmaceutical intermediates. It is employed in both in vitro biochemical research and the development of potential therapeutic agents targeting various enzymatic pathways.
CAS Number
27908-36-7
Smiles
O[C@H]1[C@@] (O[C@H] (COP (=O) (O) N2CCOCC2) [C@H]1O) (N3C (=O) NC (=O) C=C3) [H]
Molecular Formula
C13H20N3O9P
Molecular Weight
393.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

UMP-morpholidate
CAS Number27908-36-7
PubChem CID11025623
IUPAC Name[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid
Molecular FormulaC13H20N3O9P
Molecular Weight393.29
XLogP-3.3
Topological Polar Surface Area158
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity638
SMILES
C1COCCN1P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O
InChI
InChI=1S/C13H20N3O9P/c17-9-1-2-16(13(20)14-9)12-11(19)10(18)8(25-12)7-24-26(21,22)15-3-5-23-6-4-15/h1-2,8,10-12,18-19H,3-7H2,(H,21,22)(H,14,17,20)/t8-,10-,11-,12-/m1/s1
InChIKey
AJFNOZWHVDTKIH-HJQYOEGKSA-N
Chemical Structure
2D Structure
2D structure of UMP-morpholidate
CAS: 27908-36-7
CID: 11025623
Formula: C13H20N3O9P
MW: 393.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.29
XLogP3-3.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass393.09371622
Monoisotopic Mass393.09371622
Topological Polar Surface Area158 Ų
Heavy Atom Count26
Formal Charge0
Complexity638
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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