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Morpholino G phosphoramidite

CAT: 0804-HY-177363Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-177363Size:1 Each
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Description
Morpholino G phosphoramidite (Compound 4b) is a nucleoside building block that is used for synthesis of morpholino oligonucleotides. Morpholino G phosphoramidite can be used for oligonucleotide therapies research[1].
CAS Number
2243974-81-2
UNSPSC
12352005
Target
DNA/RNA Synthesis
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Others
Smiles
CC(C)N(C(C)C)P(OCCC#N)N(C[C@H](N1C=NC2=C1NC(NC(C(C)C)=O)=NC2=O)O3)C[C@H]3COC(C4=CC=C(C=C4)OC)(C5=CC=CC=C5)C6=CC=C(C=C6)OC
Molecular Formula
C44H55N8O7P
Molecular Weight
838.93
References & Citations
[1]Langner HK, et al. Synthesis and Characterization of Thiophosphoramidate Morpholino Oligonucleotides and Chimeras. J Am Chem Soc. 2020 Sep 23;142 (38) :16240-16253.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[9-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]morpholin-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CAS Number2243974-81-2
PubChem CID178203562
IUPAC NameN-[9-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]morpholin-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
Molecular FormulaC44H55N8O7P
Molecular Weight838.9
XLogP5.8
Topological Polar Surface Area165
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count18
Heavy Atom Count60
Formal Charge0
Complexity1440
SMILES
CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3CN(C[C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)P(N(C(C)C)C(C)C)OCCC#N
InChI
InChI=1S/C44H55N8O7P/c1-29(2)41(53)48-43-47-40-39(42(54)49-43)46-28-51(40)38-26-50(60(58-24-12-23-45)52(30(3)4)31(5)6)25-37(59-38)27-57-44(32-13-10-9-11-14-32,33-15-19-35(55-7)20-16-33)34-17-21-36(56-8)22-18-34/h9-11,13-22,28-31,37-38H,12,24-27H2,1-8H3,(H2,47,48,49,53,54)/t37-,38+,60?/m0/s1
InChIKey
HQRPMELFURAQPY-VMZRNFFESA-N
Chemical Structure
2D Structure
2D structure of N-[9-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]morpholin-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CAS: 2243974-81-2
CID: 178203562
Formula: C44H55N8O7P
MW: 838.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight838.9
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count18
Exact Mass838.39313312
Monoisotopic Mass838.39313312
Topological Polar Surface Area165 Ų
Heavy Atom Count60
Formal Charge0
Complexity1440
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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