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DMT-dA (N-DMA)

CAT: 1596-AR-A05627-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-A05627-05Size:150
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CAS Number
98566-67-7
Molecular Formula
C35H38N6O5
Molecular Weight
622.73
API Name
Adenosine

Chemical Information

N'-(9-((2R,4S,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-9H-purin-6-yl)-N,N-dimethylacetimidamide
CAS Number98566-67-7
PubChem CID175716710
IUPAC NameN'-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]purin-6-yl]-N,N-dimethylethanimidamide
Molecular FormulaC35H38N6O5
Molecular Weight622.7
XLogP4.4
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count46
Formal Charge0
Complexity957
SMILES
CC(=NC1=C2C(=NC=N1)N(C=N2)[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)N(C)C
InChI
InChI=1S/C35H38N6O5/c1-23(40(2)3)39-33-32-34(37-21-36-33)41(22-38-32)31-19-29(42)30(46-31)20-45-35(24-9-7-6-8-10-24,25-11-15-27(43-4)16-12-25)26-13-17-28(44-5)18-14-26/h6-18,21-22,29-31,42H,19-20H2,1-5H3/t29-,30+,31+/m0/s1
InChIKey
SYJDSEOUZHUXON-OJDZSJEKSA-N
Chemical Structure
2D Structure
2D structure of N'-(9-((2R,4S,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-9H-purin-6-yl)-N,N-dimethylacetimidamide
CAS: 98566-67-7
CID: 175716710
Formula: C35H38N6O5
MW: 622.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight622.7
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass622.29036833
Monoisotopic Mass622.29036833
Topological Polar Surface Area116 Ų
Heavy Atom Count46
Formal Charge0
Complexity957
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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