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5-Formylindole-CE phosphoramidite

CAT: 0931-TNU1321-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU1321-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
460355-05-9
Target
Others, DNA/RNA Synthesis
Related Pathways
DNA Damage/DNA Repair, Others, Cell Cycle/Checkpoint
Bioactivity
Nucleoside Derivatives - Indole nucleosides; Nucleoside Phosphoramidites
Smiles
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)C[C@@H](O1)N2C=3C(C(C=O)=C2)=CC=CC3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
Molecular Formula
C44H50N3O7P
Molecular Weight
763.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Formylindole-CE Phosphoramidite
CAS Number460355-05-9
PubChem CID13009074
IUPAC Name3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-formylindol-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Molecular FormulaC44H50N3O7P
Molecular Weight763.9
XLogP7.4
Topological Polar Surface Area104
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Heavy Atom Count55
Formal Charge0
Complexity1180
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=C(C6=CC=CC=C65)C=O
InChI
InChI=1S/C44H50N3O7P/c1-31(2)47(32(3)4)55(52-26-12-25-45)54-41-27-43(46-28-33(29-48)39-15-10-11-16-40(39)46)53-42(41)30-51-44(34-13-8-7-9-14-34,35-17-21-37(49-5)22-18-35)36-19-23-38(50-6)24-20-36/h7-11,13-24,28-29,31-32,41-43H,12,26-27,30H2,1-6H3/t41-,42+,43+,55?/m0/s1
InChIKey
AJFOLTOXFRVENP-ARCMRJPPSA-N
Chemical Structure
2D Structure
2D structure of 5-Formylindole-CE Phosphoramidite
CAS: 460355-05-9
CID: 13009074
Formula: C44H50N3O7P
MW: 763.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight763.9
XLogP37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Exact Mass763.33863794
Monoisotopic Mass763.33863794
Topological Polar Surface Area104 Ų
Heavy Atom Count55
Formal Charge0
Complexity1180
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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