2-Deoxy-3,5-di-O-p-toluoyl-D-ribofuranosyl Chloride - CAS 3601-89-6
Catalog: |
BB022832 |
Product Name: |
2-Deoxy-3,5-di-O-p-toluoyl-D-ribofuranosyl Chloride |
CAS: |
3601-89-6 |
Synonyms: |
2-Deoxy-3,5-di-O-p-toluoyl-D-erythro-pentofuranosyl chloride; 3,5-Di-O-p-toluoyl-2-deoxy-D-ribofuranosyl chloride; 1-Chloro-2-deoxy-3,5-di-O-toluoyl-D-ribofuranose; (2R,3S)-5-chloro-2-(((4-methylbenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoate; D-erythro-Pentofuranosyl chloride, 2-deoxy-, bis(4-methylbenzoate); D-erythro-Pentofuranosyl chloride, 2-deoxy-, di-p-toluate; Ribofuranosyl chloride, 2-deoxy-, di-p-toluate, D- |
IUPAC Name: | [(2R,3S)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate |
Description: | A versatile carbohydrate derivative univerisally used for the preparation of 2'-deoxynucleosides. |
Molecular Weight: | 388.84 |
Molecular Formula: | C21H21ClO5 |
Canonical SMILES: | CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)Cl)OC(=O)C3=CC=C(C=C3)C |
InChI: | InChI=1S/C21H21ClO5/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19?/m0/s1 |
InChI Key: | FJHSYOMVMMNQJQ-PAMZHZACSA-N |
Boiling Point: | 518.4±50.0°C (Predicted) |
Melting Point: | 93-98°C |
Purity: | ≥90% by HPLC |
Density: | 1.28±0.1 g/cm3 (Predicted) |
Solubility: | Soluble in Acetonitrile (Slightly), Chloroform (Slightly), Dichloromethane (Slightly), DMSO |
Appearance: | White to Light Grey Solid |
Storage: | Store at -20°C under inert atmosphere |
LogP: | 4.03960 |
GHS Hazard Statement: | H315 (100%): 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 |
Publication Number | Title | Priority Date |
CN-111925405-A | Methylisopyrazine A ring glycosylation derivative and preparation method and application thereof | 20200820 |
EP-3400444-A1 | Design, synthesis and use of synthetic nucleotides comprising charge mass tags | 20160104 |
US-2019248827-A1 | Design, synthesis and use of synthetic nucleotides comprising charge mass tags | 20160104 |
WO-2017120148-A1 | Design, synthesis and use of synthetic nucleotides comprising charge mass tags | 20160104 |
EA-031476-B1 | 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | 20140328 |
Complexity: | 509 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 388.1077515 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 388.1077515 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 61.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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