 Home > Encyclopedia > (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate

(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate

(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

CAS No:
147027-10-9
Formula:
C18H27N3O4S
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
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:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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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 Basic Attributes

Molecular Weight：

381.490

Exact Mass：

381.49

EC Number：

425-250-1

UNII：

1JUP393XYD

Characteristics

PSA：

121.74000

XLogP3：

3.47

Appearance：

tan solid

Density：

1.4±0.1 g/cm3

Melting Point：

203-210°C

Boiling Point：

525.0±60.0 °C at 760 mmHg

Flash Point：

271.3±32.9 °C

Refractive Index：

1.655

Vapor Pressure：

0mmHg at 25°C

Safety Information

GHS Classification：

|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)-Menthyl-(2R,5S)-5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-[1,3]oxathiolane-2-carboxylic acid

CAS No.: 147027-10-9

Content: 99.00%

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Widely Used (1R,2S,5R)-Menthyl-(2R,5S)-5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-[1,3]oxathiolane-2-carboxylic acid

CAS No.: 147027-10-9

Grade: Pharmaceutical Grade

Content: 99%

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(1R,2S,5R)-Menthyl-(2R,5S)-5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-[1,3]oxathiolane-2-carboxylic acid from Kindchem

CAS No.: 147027-10-9

Grade: Food Grade

Content: 98%

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Guide of (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
Characteristics
Safety Information
Computed Properties
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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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