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DMTr-dC (Ac) -3'-CE-Phosphoramidite

CAT: 0936-PA006-1KSize: 1 KgDry Ice: NoHazardous: No
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CAT#:0936-PA006-1KSize:1 Kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
154110-40-4
Storage Conditions
<-20°C. Keep in dry place.

Chemical Information

Ac-dC Phosphoramidite
CAS Number154110-40-4
PubChem CID70700205
IUPAC NameN-[1-[(2S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
Molecular FormulaC41H50N5O8P
Molecular Weight771.8
XLogP5.1
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count18
Heavy Atom Count55
Formal Charge0
Complexity1320
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=CC(=NC5=O)NC(=O)C
InChI
InChI=1S/C41H50N5O8P/c1-28(2)46(29(3)4)55(52-25-11-23-42)54-36-26-39(45-24-22-38(43-30(5)47)44-40(45)48)53-37(36)27-51-41(31-12-9-8-10-13-31,32-14-18-34(49-6)19-15-32)33-16-20-35(50-7)21-17-33/h8-10,12-22,24,28-29,36-37,39H,11,25-27H2,1-7H3,(H,43,44,47,48)/t36-,37+,39+,55?/m1/s1
InChIKey
MECWEBCHRKVTNV-QQIWIMIASA-N
Chemical Structure
2D Structure
2D structure of Ac-dC Phosphoramidite
CAS: 154110-40-4
CID: 70700205
Formula: C41H50N5O8P
MW: 771.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight771.8
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count18
Exact Mass771.33970057
Monoisotopic Mass771.33970057
Topological Polar Surface Area144 Ų
Heavy Atom Count55
Formal Charge0
Complexity1320
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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