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Chemical structure of 5'-O-DMT-Bz-rA

GC61917

5'-O-DMT-Bz-rA

Also known as N-[9-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]purin-6-yl]benzamide

5'-O-DMT-Bz-rA is an intermediate for cyclic di-nucleotide compounds?synthesis

ChemicalCAS81246-82-4MW673.71FormulaC38H35N5O7
CAS number
81246-82-4
Molecular weight
673.71
Formula
C38H35N5O7
Solubility
DMSO ： 100 mg/mL (148·43 mM; Need ultrasonic)
InChIKey
QPHBEJADZCSKCY-UHFFFAOYSA-N
Catalogue number
GC61917
Brand
GLPBIO
Computed properties PubChem CID 2829733 · XLogP 4.5 · TPSA 150 Ų · H-bond donors 3
XLogP
4.5
TPSA
150 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
50

SMILES COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)O)O

Computed descriptors from PubChem (CID 2829733), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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