Catalog No.:AA00C0BU

41094-07-9 | S-(2-HYDROXY-5-NITROBENZYL)-6-THIOGUANOSINE

Name: Name:S-(2-HYDROXY-5-NITROBENZYL)-6-THIOGUANOSINE
Brand: AABLOCKS
SKU: AA00C0BU
Rating: 90 (10 reviews)

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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA00C0BU

Chemical Name:

S-(2-HYDROXY-5-NITROBENZYL)-6-THIOGUANOSINE

CAS Number:

41094-07-9

Molecular Formula:

C17H18N6O7S

Molecular Weight:

450.4258

MDL Number:

MFCD00055996

SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N)O

Properties

Computed Properties

Complexity:

647

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

0.8

Literature

Title: Constrained NBMPR analogue synthesis, pharmacophore mapping and 3D-QSAR modeling of equilibrative nucleoside transporter 1 (ENT1) inhibitory activity.

Journal: Bioorganic & medicinal chemistry 20080401

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SDS