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3'-dC (Bz) -2'-phosphoramidite

CAT: 0931-TNU1417-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU1417-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
157327-96-3
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
Others, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Bioactivity
3'-dC (Bz) -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)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
Molecular Formula
C46H52N5O8P
Molecular Weight
833.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[1-[(2R,3R,5S)-5-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CAS Number157327-96-3
PubChem CID15333719
IUPAC NameN-[1-[(2R,3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Molecular FormulaC46H52N5O8P
Molecular Weight833.9
XLogP6.8
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Heavy Atom Count60
Formal Charge0
Complexity1440
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1C[C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
InChI
InChI=1S/C46H52N5O8P/c1-32(2)51(33(3)4)60(57-29-13-27-47)59-41-30-40(58-44(41)50-28-26-42(49-45(50)53)48-43(52)34-14-9-7-10-15-34)31-56-46(35-16-11-8-12-17-35,36-18-22-38(54-5)23-19-36)37-20-24-39(55-6)25-21-37/h7-12,14-26,28,32-33,40-41,44H,13,29-31H2,1-6H3,(H,48,49,52,53)/t40-,41+,44+,60?/m0/s1
InChIKey
QRUYOSQSJHNNHF-UOMJVJLHSA-N
Chemical Structure
2D Structure
2D structure of N-[1-[(2R,3R,5S)-5-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CAS: 157327-96-3
CID: 15333719
Formula: C46H52N5O8P
MW: 833.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight833.9
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Exact Mass833.35535063
Monoisotopic Mass833.35535063
Topological Polar Surface Area144 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

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Alternative Products

CatalogName
MBS58270093'-dC(Bz)-2'-phosphoramidite
GTR19214117-013'-dC (Bz) -2'-phosphoramidite
HY-138577-012'-F-Bz-dC Phosphoramidite
HY-W008849-01DMT-dC (bz) Phosphoramidite
M-1002-2DC (Bz) -CE phosphoramidite
MBS5797822DMT-dC(bz) Phosphoramidite
PA004-100DMTr-dC (Bz) -3'-CE-Phosphoramidite
PA023-10DMTr-2'-F-dC (Bz) -3'-CE-Phosphoramidite
HY-49200-01DMT-2'-F-dC (Bz) -CE-Phosphoramidite
HY-46317-01DMT-5Me-dC (Bz) -CE Phosphoramidite

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