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DMT-dI Phosphoramidite

CAT: 0804-HY-137576-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-137576-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Phosphoramidite is a modified phosphoramidite monomer used for the oligonucleotide synthesis.
CAS Number
141684-35-7
UNSPSC
12352005
Hazard Statement
H315-H319-H335-H360
Target
DNA/RNA Synthesis; Nucleoside Antimetabolite/Analog
Type
Oligonucleotides
Related Pathways
Cell Cycle/DNA Damage
Applications
COVID-19-anti-virus
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/dmt-di-phosphoramidite.html
Purity
98.15
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
COC1=CC=C(C(C2=CC=C(OC)C=C2)(OC[C@@H]3[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)C[C@H](N4C(N=CNC5=O)=C5N=C4)O3)C6=CC=CC=C6)C=C1
Molecular Formula
C40H47N6O7P
Molecular Weight
754.81
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CAS Number141684-35-7
PubChem CID135741319
IUPAC Name3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Molecular FormulaC40H47N6O7P
Molecular Weight754.8
XLogP5.4
Topological Polar Surface Area142
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count17
Heavy Atom Count54
Formal Charge0
Complexity1230
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=NC6=C5N=CNC6=O
InChI
InChI=1S/C40H47N6O7P/c1-27(2)46(28(3)4)54(51-22-10-21-41)53-34-23-36(45-26-44-37-38(45)42-25-43-39(37)47)52-35(34)24-50-40(29-11-8-7-9-12-29,30-13-17-32(48-5)18-14-30)31-15-19-33(49-6)20-16-31/h7-9,11-20,25-28,34-36H,10,22-24H2,1-6H3,(H,42,43,47)/t34-,35+,36+,54?/m0/s1
InChIKey
ZKGZROFWRPJVEB-XZYUMQGLSA-N
Chemical Structure
2D Structure
2D structure of 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CAS: 141684-35-7
CID: 135741319
Formula: C40H47N6O7P
MW: 754.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight754.8
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count17
Exact Mass754.32438486
Monoisotopic Mass754.32438486
Topological Polar Surface Area142 Ų
Heavy Atom Count54
Formal Charge0
Complexity1230
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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