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Dmt-dT Phosphoramidite

CAT: 0127-OR1013057-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
98796-51-1
Purity
98%
Smiles
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N

Chemical Information

Thymidine, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-, 3'-(2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite)
CAS Number98796-51-1
PubChem CID9940288
IUPAC Name3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Molecular FormulaC40H49N4O8P
Molecular Weight744.8
XLogP5.7
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Heavy Atom Count53
Formal Charge0
Complexity1240
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N
InChI
InChI=1S/C40H49N4O8P/c1-27(2)44(28(3)4)53(50-23-11-22-41)52-35-24-37(43-25-29(5)38(45)42-39(43)46)51-36(35)26-49-40(30-12-9-8-10-13-30,31-14-18-33(47-6)19-15-31)32-16-20-34(48-7)21-17-32/h8-10,12-21,25,27-28,35-37H,11,23-24,26H2,1-7H3,(H,42,45,46)/t35-,36+,37+,53?/m0/s1
InChIKey
UNOTXUFIWPRZJX-CEXSRUIHSA-N
Chemical Structure
2D Structure
2D structure of Thymidine, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-, 3'-(2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite)
CAS: 98796-51-1
CID: 9940288
Formula: C40H49N4O8P
MW: 744.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight744.8
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Exact Mass744.32880153
Monoisotopic Mass744.32880153
Topological Polar Surface Area132 Ų
Heavy Atom Count53
Formal Charge0
Complexity1240
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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