6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;hydrochloride
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![6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;hydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ec1ab96899bf41dca684261f309fb44b.png "6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;hydrochloride")
6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;hydrochloride
structure -
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CAS No:
62402-31-7
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Formula:
C8H15ClN4O5
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Chemical Name:
6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;hydrochloride
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Synonyms:
5,6-dihydro-5'-azacytidine;5,6-dihydro-5-azacytidine;5,6-dihydro-5-azacytidine hydrochloride;DHAC cpd;dihydro-5-azacytidine;NSC 264880;NSC-264880;5,6-Dihydro-5-azacytidine hydrochloride;UNII-TA5S1BS78J;TA5S1BS78J;NSC-264880;62402-31-7;4-Imino-1-beta-D-ribofuranosyltetrahydro-2(1H)-triazin-2-one hydrochloride;1,3,5-Triazin-2(1H)-one, 5,6-dihydro-4-amino-1-beta-D-ribofuranosyl-, monohydrochloride;2(1H)-s-Triazin-2-one, tetrahydro-4-imino-1-beta-D-ribofuranosyl-, hydrochloride;4-Amino-5,6-dihydro-1-beta-D-ribofuranosyl-1,3,5-triazin-2(1H)-one hydrochloride;5,6-Dihydro-4-amino-1-beta-D-ribofuranosyl-1,3,5-triazin-2(1H)-one hydrochloride;SCHEMBL699833;CHEMBL3278058;Q27289868;4-Amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5,6-dihydro-1,3,5-triazin-2(1H)-one hydrochloride
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CAS No:
6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;hydrochloride Basic Attributes
282.68 g/mol
282.0730973 g/mol
270925|264880
Characteristics
141 Ų
H > 50 (mg/mL)|pH 4 Acetate buffer > 50 (mg/mL)|pH 9 Borate buffer > 50 (mg/mL)|10% Ethanol > 50 (mg/mL)|95% Ethanol 1 - 3 (mg/mL)|McOH 5 - 10 (mg/mL)|CHCl < 1 (mg/mL)
Safety Information
Bulk: A sample stored at 60 °C for 30 days showed < 1% decomposition (TLC, UV). Solution: A sample was dissolved in pH 8 phosphate buffer at a concentration of 0.1 mg/mL for UV study and 10 mg/mL for TLC study and stored at room temperature in a closed clear bottle exposed to laboratory light for 9 days. Based on the UV and TLC the sample showed < 1% decomposition.
Computed Properties
Molecular Weight:282.68
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:282.0730973
Monoisotopic Mass:282.0730973
Topological Polar Surface Area:141
Heavy Atom Count:18
Complexity:349
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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