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147027-10-9

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Basic Information
CAS No.: 147027-10-9
Name: (1R,2S,5R)-Menthyl-(2R,5S)-5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-[1,3]oxathiolane-2-carboxylic acid
Article Data: 17
Molecular Structure:
Molecular Structure of 147027-10-9 ((1R,2S,5R)-Menthyl-(2R,5S)-5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-[1,3]oxathiolane-2-carboxylic acid)
Formula: C18H27N3O4S
Molecular Weight: 381.496
Synonyms: (1R,2S,5R)-Menthyl-(2R,5S)-5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-[1,3]oxathiolane-2-carboxylic acid
EINECS: 425-250-1
Density: 1.421 g/cm3
Melting Point: 203-210°C
Boiling Point: 524.954 °C at 760 mmHg
Flash Point: 271.283 °C
Appearance: tan solid
PSA: 121.74000
LogP: 2.99880
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Chemistry

Systematic Name: (1R,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexyl (2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
Synonyms of (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): (2S,5R)-5-Cytosine-1-yl-[1,3]-oxathiolane-2-carboxylic acid menthyl ester ; (1R,2S,5R)-Menthyl-(2S,5R)-5-(4-Amino-2-Oxo-2h-5-Fluoro-Pyrimidin-1-Yl)-[1,3]-Oxathiolane-2-Carboxylic Acid
CAS NO: 147027-10-9
Molecular Formula: C18H27N3O4S
Molecular Weight: 381.49
Molecular Structure:
H bond acceptors: 7
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 119.52Å2
Index of Refraction: 1.655
Molar Refractivity: 98.516 cm3
Molar Volume: 268.486 cm3
Surface Tension: 52.474 dyne/cm
Density: 1.421 g/cm3
Flash Point: 271.283 °C
Enthalpy of Vaporization: 79.897 kJ/mol
Boiling Point: 524.954 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Appearance: (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) is tan solid .
SMILES: O=C1/N=C(/N)\C=C/N1[C@H]2O[C@H](SC2)C(=O)O[C@H]3[C@H](C(C)C)CC[C@@H](C)C3
InChI: InChI=1/C18H27N3O4S/c1-10(2)12-5-4-11(3)8-13(12)24-16(22)17-25-15(9-26-17)21-7-6-14(19)20-18(21)23/h6-7,10-13,15,17H,4-5,8-9H2,1-3H3,(H2,19,20,23)/t11-,12+,13-,15+,17-/m1/s1
InChIKey: QMYKWNYBSBURDT-JINKPPJBBC
Std. InChI: InChI=1S/C18H27N3O4S/c1-10(2)12-5-4-11(3)8-13(12)24-16(22)17-25-15(9-26-17)21-7-6-14(19)20-18(21)23/h6-7,10-13,15,17H,4-5,8-9H2,1-3H3,(H2,19,20,23)/t11-,12+,13-,15+,17-/m1/s1
Std. InChIKey: QMYKWNYBSBURDT-JINKPPJBSA-N
Product Categories: chiral;Chiral Reagents;Heterocycles;Sulfur & Selenium Compounds

Uses

 (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) is used as lamivudine intermediate.