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7'-O-DMT-morpholino uracil

CAT: 0931-TNU1446-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU1446-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1127343-02-5
Target
Nucleoside Antimetabolite/Analog, Others
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Others
Bioactivity
7'-O-DMT-morpholino uracil is a nucleoside derivative and a morpholino nucleoside.
Smiles
C(OC[C@H]1O[C@H](CNC1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
Molecular Formula
C30H31N3O6
Molecular Weight
529.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7'-O-DMT-morpholino uracil
CAS Number1127343-02-5
PubChem CID168006929
IUPAC Name1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholin-2-yl]pyrimidine-2,4-dione
Molecular FormulaC30H31N3O6
Molecular Weight529.6
XLogP3.1
Topological Polar Surface Area98.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity822
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4CNC[C@@H](O4)N5C=CC(=O)NC5=O
InChI
InChI=1S/C30H31N3O6/c1-36-24-12-8-22(9-13-24)30(21-6-4-3-5-7-21,23-10-14-25(37-2)15-11-23)38-20-26-18-31-19-28(39-26)33-17-16-27(34)32-29(33)35/h3-17,26,28,31H,18-20H2,1-2H3,(H,32,34,35)/t26-,28+/m0/s1
InChIKey
UGPQKHVBFWRQNB-XTEPFMGCSA-N
Chemical Structure
2D Structure
2D structure of 7'-O-DMT-morpholino uracil
CAS: 1127343-02-5
CID: 168006929
Formula: C30H31N3O6
MW: 529.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.6
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass529.22128572
Monoisotopic Mass529.22128572
Topological Polar Surface Area98.4 Ų
Heavy Atom Count39
Formal Charge0
Complexity822
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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