(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
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(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
structure -
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CAS No:
147027-10-9
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Formula:
C18H27N3O4S
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Chemical Name:
(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
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Synonyms:
1,3-Oxathiolane-2-carboxylic acid,5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-,(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester,(2R,5S)-;1,3-Oxathiolane-2-carboxylic acid,5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-,5-methyl-2-(1-methylethyl)cyclohexyl ester,[1R-[1α(2R*,5S*),2β,5α]]-;(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate;(2R,5S)-5-(4-Amino-2-oxo-1,2-dihydro-1-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl ester
- Categories:
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CAS No:
(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate Basic Attributes
381.490
381.49
425-250-1
1JUP393XYD
Characteristics
121.74000
3.47
tan solid
1.4±0.1 g/cm3
203-210°C
525.0±60.0 °C at 760 mmHg
271.3±32.9 °C
1.655
0mmHg at 25°C
Safety Information
|H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:381.5
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:381.17222752
Monoisotopic Mass:381.17222752
Topological Polar Surface Area:120
Heavy Atom Count:26
Complexity:622
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
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