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DMTr-UNA-U-CE Phosphoramidite

CAT: 0936-PA492-1KSize: 1 KgDry Ice: NoHazardous: No
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CAT#:0936-PA492-1KSize:1 Kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1120329-48-7
Storage Conditions
<-20°C. Keep in dry place.

Chemical Information

UNA-U-CE Phosphoramidite
CAS Number1120329-48-7
PubChem CID100942372
IUPAC Name[(2R)-2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropan-2-yl]oxy-2-(2,4-dioxopyrimidin-1-yl)ethyl] benzoate
Molecular FormulaC46H53N4O10P
Molecular Weight852.9
XLogP6.6
Topological Polar Surface Area158
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count24
Heavy Atom Count61
Formal Charge0
Complexity1400
SMILES
CC(C)N(C(C)C)P(OCCC#N)OC[C@@H](COC(C1=CC=CC=C1)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)O[C@H](COC(=O)C4=CC=CC=C4)N5C=CC(=O)NC5=O
InChI
InChI=1S/C46H53N4O10P/c1-33(2)50(34(3)4)61(58-29-13-27-47)59-31-41(60-43(49-28-26-42(51)48-45(49)53)32-56-44(52)35-14-9-7-10-15-35)30-57-46(36-16-11-8-12-17-36,37-18-22-39(54-5)23-19-37)38-20-24-40(55-6)25-21-38/h7-12,14-26,28,33-34,41,43H,13,29-32H2,1-6H3,(H,48,51,53)/t41-,43-,61?/m1/s1
InChIKey
MHRGEJFLFYZLJI-LZOZAVILSA-N
Chemical Structure
2D Structure
2D structure of UNA-U-CE Phosphoramidite
CAS: 1120329-48-7
CID: 100942372
Formula: C46H53N4O10P
MW: 852.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight852.9
XLogP36.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count24
Exact Mass852.34993090
Monoisotopic Mass852.34993090
Topological Polar Surface Area158 Ų
Heavy Atom Count61
Formal Charge0
Complexity1400
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