2-Deoxy-3,5-di-O-(4-chlorobenzoyl)-alpha-D-ribofuranosyl Chloride - CAS 21740-23-8

Name: 2-Deoxy-3,5-di-O-(4-chlorobenzoyl)-alpha-D-ribofuranosyl Chloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017123
Product Name:	2-Deoxy-3,5-di-O-(4-chlorobenzoyl)-alpha-D-ribofuranosyl Chloride
CAS:	21740-23-8
Synonyms:	1-Chloro-3,5-di-(p-chlorobenzoyl)-2-deoxy-D-ribofuranose; 2-Deoxy-α-D-erythro-pentofuranosyl Chloride 3,5-Bis(4-chlorobenzoate); 1-Chloro-2-deoxy-3,5-O-bis(p-chlorobenzoyl)-α-D-erythro-pentofuranose; 3,5-Bis(4-chlorobenzoyl)-2-deoxy-alpha-D-ribofuranosyl Chloride; NSC 140594; 3,5-Di-O-(p-chlorobenzoyl)-2-deoxy-α-D-ribofuranosyl Chloride

Technical Data

IUPAC Name:	[(2R,3S,5R)-5-chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate
Description:	Intermediate used in the synthesis of nucleotide analogs.Unstable in solution.
Molecular Weight:	429.68
Molecular Formula:	C19H15Cl3O5
Canonical SMILES:	C1C(C(OC1Cl)COC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl
InChI:	InChI=1S/C19H15Cl3O5/c20-13-5-1-11(2-6-13)18(23)25-10-16-15(9-17(22)26-16)27-19(24)12-3-7-14(21)8-4-12/h1-8,15-17H,9-10H2/t15-,16+,17-/m0/s1
InChI Key:	QEHCZULNFYDPPL-BBWFWOEESA-N
Boiling Point:	530.6±50.0°C (Predicted)
Melting Point:	110-118°C (dec.)
Purity:	≥90% by HPLC
Density:	1.46±0.1 g/cm3 (Predicted)
Solubility:	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance:	White to Off-white Solid
Storage:	Store at -20°C under inert atmosphere
LogP:	4.72960

GHS Hazard Statement:	H315 (95.12%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	516
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	427.998507
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	427.998507
Rotatable Bond Count:	7
Topological Polar Surface Area:	61.8 Å²
Undefined Atom Stereocenter Count:	3
Undefined Bond Stereocenter Count:	0
XLogP3:	5.4