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2'-dG (iBu) -2'-phosphoramidite

CAT: 0931-TNU1418-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU1418-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
157327-97-4
Target
Nucleoside Antimetabolite/Analog, Others
Related Pathways
Others, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Bioactivity
2'-dG (iBu) -2'-phosphoramidite is a Nucleoside Phosphoramidite.
Smiles
C(OC[C@H]1O[C@H]([C@H](OP(N(C(C)C)C(C)C)OCCC#N)C1)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
Molecular Formula
C44H54N7O8P
Molecular Weight
839.92
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Guanosine, 5a(2)-O-[bis(4-methoxyphenyl)phenylmethyl]-3a(2)-deoxy-N-(2-methyl-1-oxopropyl)-, 2a(2)-[2-cyanoethyl bis(1-methylethyl)phosphoramidite]
CAS Number157327-97-4
PubChem CID137132642
IUPAC NameN-[9-[(2R,3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
Molecular FormulaC44H54N7O8P
Molecular Weight839.9
XLogP6.1
Topological Polar Surface Area171
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Heavy Atom Count60
Formal Charge0
Complexity1440
SMILES
CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H](C[C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N
InChI
InChI=1S/C44H54N7O8P/c1-28(2)40(52)48-43-47-39-38(41(53)49-43)46-27-50(39)42-37(59-60(57-24-12-23-45)51(29(3)4)30(5)6)25-36(58-42)26-56-44(31-13-10-9-11-14-31,32-15-19-34(54-7)20-16-32)33-17-21-35(55-8)22-18-33/h9-11,13-22,27-30,36-37,42H,12,24-26H2,1-8H3,(H2,47,48,49,52,53)/t36-,37+,42+,60?/m0/s1
InChIKey
XYRJDHYBLIRQDU-SRBSNSDWSA-N
Chemical Structure
2D Structure
2D structure of Guanosine, 5a(2)-O-[bis(4-methoxyphenyl)phenylmethyl]-3a(2)-deoxy-N-(2-methyl-1-oxopropyl)-, 2a(2)-[2-cyanoethyl bis(1-methylethyl)phosphoramidite]
CAS: 157327-97-4
CID: 137132642
Formula: C44H54N7O8P
MW: 839.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight839.9
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Exact Mass839.37714870
Monoisotopic Mass839.37714870
Topological Polar Surface Area171 Ų
Heavy Atom Count60
Formal Charge0
Complexity1440
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes