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DMT-locMeC (bz) phosphoramidite

CAT: 0931-TNU1266Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU1266Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
206055-82-5
Target
Others, DNA/RNA Synthesis
Related Pathways
Cell Cycle/Checkpoint, Others, DNA Damage/DNA Repair
Bioactivity
Nucleoside Derivatives - LNA-related nucleosides; Nucleoside Phorphoramidites
Smiles
C(OC[C@]12[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@]([C@@H](O1)N3C(=O)N=C(NC(=O)C4=CC=CC=C4)C(C)=C3)(OC2)[H])(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
Molecular Formula
C48H54N5O9P
Molecular Weight
875.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1R,3R,4R,7S)-3-(4-N-Benzoyl-5-methylcytosin-1-yl)-7-(2-cyanoethoxy(diisopropylamino)phosphinoxy)-1-(4,4'-dimethoxytrityloxymethyl)-2,5-dioxabicyclo(2.2.1)heptane
CAS Number206055-82-5
PubChem CID11308969
IUPAC NameN-[1-[(1R,3R,4R,7S)-1-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-7-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
Molecular FormulaC48H54N5O9P
Molecular Weight875.9
XLogP6.3
Topological Polar Surface Area153
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count19
Heavy Atom Count63
Formal Charge0
Complexity1610
SMILES
CC1=CN(C(=O)N=C1NC(=O)C2=CC=CC=C2)[C@H]3[C@H]4[C@@H]([C@@](O3)(CO4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)OP(N(C(C)C)C(C)C)OCCC#N
InChI
InChI=1S/C48H54N5O9P/c1-32(2)53(33(3)4)63(60-28-14-27-49)62-42-41-45(52-29-34(5)43(51-46(52)55)50-44(54)35-15-10-8-11-16-35)61-47(42,30-58-41)31-59-48(36-17-12-9-13-18-36,37-19-23-39(56-6)24-20-37)38-21-25-40(57-7)26-22-38/h8-13,15-26,29,32-33,41-42,45H,14,28,30-31H2,1-7H3,(H,50,51,54,55)/t41-,42+,45-,47-,63?/m1/s1
InChIKey
XHILZPWJJJDDDY-HXAWEXODSA-N
Chemical Structure
2D Structure
2D structure of (1R,3R,4R,7S)-3-(4-N-Benzoyl-5-methylcytosin-1-yl)-7-(2-cyanoethoxy(diisopropylamino)phosphinoxy)-1-(4,4'-dimethoxytrityloxymethyl)-2,5-dioxabicyclo(2.2.1)heptane
CAS: 206055-82-5
CID: 11308969
Formula: C48H54N5O9P
MW: 875.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight875.9
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count19
Exact Mass875.36591531
Monoisotopic Mass875.36591531
Topological Polar Surface Area153 Ų
Heavy Atom Count63
Formal Charge0
Complexity1610
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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