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UMP-morpholidate

CAT: 0931-T19598-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T19598-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27908-36-7
Target
Others
Related Pathways
Others
Bioactivity
UMP-morpholidate is an intermediate used in pharmaceutical synthesis by coupling.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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