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5'-O-DMT-5-methyluridine

CAT: 0926-ND146114-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-ND146114-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
138239-62-0
Smiles
CC1=CN (C (=O) NC1=O) C2C (C (C (O2) COC (C3=CC=CC=C3) (C4=CC=C (C=C4) OC) C5=CC=C (C=C5) OC) O) O
Molecular Formula
C31H32N2O8
Molecular Weight
560.59 g/mol
Controlled
No

Chemical Information

5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-5-methyluridine
CAS Number138239-62-0
PubChem CID10055554
IUPAC Name1-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular FormulaC31H32N2O8
Molecular Weight560.6
XLogP2.7
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity912
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O)O
InChI
InChI=1S/C31H32N2O8/c1-19-17-33(30(37)32-28(19)36)29-27(35)26(34)25(41-29)18-40-31(20-7-5-4-6-8-20,21-9-13-23(38-2)14-10-21)22-11-15-24(39-3)16-12-22/h4-17,25-27,29,34-35H,18H2,1-3H3,(H,32,36,37)/t25-,26-,27-,29-/m1/s1
InChIKey
SWYBMSHCUZGERH-LTGLEFCMSA-N
Chemical Structure
2D Structure
2D structure of 5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-5-methyluridine
CAS: 138239-62-0
CID: 10055554
Formula: C31H32N2O8
MW: 560.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight560.6
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass560.21586598
Monoisotopic Mass560.21586598
Topological Polar Surface Area127 Ų
Heavy Atom Count41
Formal Charge0
Complexity912
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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