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5'-O-DMT-N2-DMF-dG

CAT: 0127-OR1005496Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR1005496Size:1 Each
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CAS Number
40094-22-2
Purity
98%
Smiles
COC1=CC=C(C(C2=CC=CC=C2)(OC[C@@H]3[C@@H](O)C[C@@H](O3)N4C=NC5=C4N=C(/N=CN(C)C)NC5=O)C6=CC=C(OC)C=C6)C=C1

Chemical Information

5'-O-DMT-N2-DMF-dG
CAS Number40094-22-2
PubChem CID136407412
IUPAC NameN'-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
Molecular FormulaC34H36N6O6
Molecular Weight624.7
XLogP3.5
Topological Polar Surface Area132
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count46
Formal Charge0
Complexity1040
SMILES
CN(C)C=NC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI
InChI=1S/C34H36N6O6/c1-39(2)20-36-33-37-31-30(32(42)38-33)35-21-40(31)29-18-27(41)28(46-29)19-45-34(22-8-6-5-7-9-22,23-10-14-25(43-3)15-11-23)24-12-16-26(44-4)17-13-24/h5-17,20-21,27-29,41H,18-19H2,1-4H3,(H,37,38,42)/t27-,28+,29+/m0/s1
InChIKey
YTRIMRXIMVGPAL-ZGIBFIJWSA-N
Chemical Structure
2D Structure
2D structure of 5'-O-DMT-N2-DMF-dG
CAS: 40094-22-2
CID: 136407412
Formula: C34H36N6O6
MW: 624.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.7
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass624.26963289
Monoisotopic Mass624.26963289
Topological Polar Surface Area132 Ų
Heavy Atom Count46
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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