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144822-63-9

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Basic Information
CAS No.: 144822-63-9
Name: 1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-2-fluoro-beta-D-arabinofuranosyl]-2,4(1H,3H)-pyrimidinedione
Article Data: 2
Molecular Structure:
Molecular Structure of 144822-63-9 (1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-2-fluoro-beta-D-arabinofuranosyl]-2,4(1H,3H)-pyrimidinedione)
Formula: C30H29FN2O7
Molecular Weight: 548.568
Synonyms: 1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-2-fluoro-beta-D-arabinofuranosyl]-2,4(1H,3H)-pyrimidinedione;1-{5-O-[Bis-(4-methoxyphenyl)-phenylmethyl]-2-deoxy-2-fluoro--D-arabinofuranosyl}-2,4(1H,3H)-pyrimidinedione
Density: 1.38 g/cm3
PSA: 112.01000
LogP: 3.15890
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Specification

The 1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-2-fluoro-beta-D-arabinofuranosyl]-2,4(1H,3H)-pyrimidinedione is an organic compound with the formula C30H29FN2O7. The systematic name of this chemical is 1-[(3S,4R,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-3-fluoro-4-hydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione. With the CAS registry number 144822-63-9, it is also named as 2,4(1H,3H)-pyrimidinedione, 1-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-2-fluoro-D-arabinofuranosyl]-.

Physical properties about 1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-2-fluoro-beta-D-arabinofuranosyl]-2,4(1H,3H)-pyrimidinedione are: (1)ACD/LogP: 4.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.83; (4)ACD/LogD (pH 7.4): 4.76; (5)#H bond acceptors: 9; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 10; (8)Polar Surface Area: 106.56 Å2; (9)Index of Refraction: 1.647; (10)Molar Refractivity: 143.86 cm3; (11)Molar Volume: 395.8 cm3; (12)Polarizability: 57.03×10-24cm3; (13)Surface Tension: 63.5 dyne/cm; (14)Density: 1.38 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OCC4C(C(C(O4)n5ccc(=O)[nH]c5=O)F)O
(2)InChI: InChI=1/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-2)15-11-21)39-18-24-27(35)26(31)28(40-24)33-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26+,27-,28?/m1/s1
(3)InChIKey: CSSFZSSZXOCCJB-FUMHFHJXBS
(4)Std. InChI: InChI=1S/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-2)15-11-21)39-18-24-27(35)26(31)28(40-24)33-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26+,27-,28?/m1/s1
(5)Std. InChIKey: CSSFZSSZXOCCJB-FUMHFHJXSA-N