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DMT-2-OMe-Bz-C

CAT: 0607-BA4291-5000Size: 5 gDry Ice: NoHazardous: No
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CAT#:0607-BA4291-5000Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110764-74-4
Form
A solid
Molecular Formula
C38H37N3O8
Molecular Weight
663.72
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

DMT-2'-OMe-Bz-C
CAS Number110764-74-4
PubChem CID13872214
IUPAC NameN-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Molecular FormulaC38H37N3O8
Molecular Weight663.7
XLogP5.4
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count49
Formal Charge0
Complexity1130
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI
InChI=1S/C38H37N3O8/c1-45-29-18-14-27(15-19-29)38(26-12-8-5-9-13-26,28-16-20-30(46-2)21-17-28)48-24-31-33(42)34(47-3)36(49-31)41-23-22-32(40-37(41)44)39-35(43)25-10-6-4-7-11-25/h4-23,31,33-34,36,42H,24H2,1-3H3,(H,39,40,43,44)/t31-,33-,34-,36-/m1/s1
InChIKey
WXJKGOQQYUVNQW-YDXJMRNDSA-N
Chemical Structure
2D Structure
2D structure of DMT-2'-OMe-Bz-C
CAS: 110764-74-4
CID: 13872214
Formula: C38H37N3O8
MW: 663.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight663.7
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass663.25806515
Monoisotopic Mass663.25806515
Topological Polar Surface Area128 Ų
Heavy Atom Count49
Formal Charge0
Complexity1130
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