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Alkyne amidite, hydroxyprolinol

CAT: 0804-HY-132272-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-132272-01Size:10 mg
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Description
Alkyne amidite, hydroxyprolinol is a phosphorous amide monomer used for the synthesis of oligonucleotides[1].
CAS Number
1357289-02-1
UNSPSC
12352005
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/alkyne-amidite-hydroxyprolinol.html
Solubility
10 mM in DMSO
Smiles
C#CCCCC(N(C[C@@H](C1)OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]1COC(C2=CC=C(C=C2)OC)(C3=CC=CC=C3)C4=CC=C(C=C4)OC)=O
Molecular Formula
C41H52N3O6P
Molecular Weight
713.84
References & Citations
[1]Vladimir B Tsvetkov, et al. Phenoxazine pseudonucleotides in DNA i-motifs allow precise profiling of small molecule binders by fluorescence monitoring. Analyst. 2021 Jul 21;146 (14) :4436-4440.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Alkyne Amidite, hydroxyprolinol
CAS Number1357289-02-1
PubChem CID117743867
IUPAC Name3-[[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-hex-5-ynoylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Molecular FormulaC41H52N3O6P
Molecular Weight713.8
XLogP6.6
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count51
Formal Charge0
Complexity1100
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1C[C@H](N(C1)C(=O)CCCC#C)COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C41H52N3O6P/c1-8-9-11-17-40(45)43-29-39(50-51(49-27-14-26-42)44(31(2)3)32(4)5)28-36(43)30-48-41(33-15-12-10-13-16-33,34-18-22-37(46-6)23-19-34)35-20-24-38(47-7)25-21-35/h1,10,12-13,15-16,18-25,31-32,36,39H,9,11,14,17,27-30H2,2-7H3/t36-,39+,51?/m0/s1
InChIKey
PLYFRZOJOFDXKE-PAGMWIRJSA-N
Chemical Structure
2D Structure
2D structure of Alkyne Amidite, hydroxyprolinol
CAS: 1357289-02-1
CID: 117743867
Formula: C41H52N3O6P
MW: 713.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight713.8
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass713.35937338
Monoisotopic Mass713.35937338
Topological Polar Surface Area93.5 Ų
Heavy Atom Count51
Formal Charge0
Complexity1100
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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