Systematic Name: (2R,3R,5R)-8-Methyl-3-[(trityloxy)methyl]-2,3-dihydro-9H-2,5-methanopyrimido[2,1-b][1,5,3]dioxazepin-9-one
Synonyms of 5-O-Triphenylmethyl-2-deoxy-2,3-didehyrothymidine (CAS NO.25442-42-6): 5'-O-Trityl-2,3'-anhydrothymidine ; 2,3'-Anhydro-1-(2-deoxy-5-O-trityl-b-D-threo-pentofuranosyl)-thymine ; 2,3-Dihydro-8-methyl-3-[(trityloxy)methyl]-2,5-methano-5H,9H-pyrimido[2,1-b][1,5,3]dioxazepin-9-one
CAS NO: 25442-42-6
Molecular Formula: C₂₉H₂₆N₂O₄
Molecular Weight: 466.53
Molecular Structure:
H bond acceptors: 6
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 60.36 Å²
Index of Refraction: 1.652
Molar Refractivity: 133.283 cm³
Molar Volume: 364.574 cm³
Surface Tension: 50.048 dyne/cm
Density: 1.28 g/cm³
Flash Point: 314.094 °C
Enthalpy of Vaporization: 88.771 kJ/mol
Boiling Point: 595.742 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Appearance: White Solid
SMILES: O=C/1/N=C2/O[C@H]3[C@H](O[C@@H](N2\C=C\1C)C3)COC(c4ccccc4)(c5ccccc5)c6ccccc6
InChI: InChI=1/C29H26N2O4/c1-20-18-31-26-17-24(35-28(31)30-27(20)32)25(34-26)19-33-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-26H,17,19H2,1H3/t24-,25-,26-/m1/s1
InChIKey: BNYSGZUWMUNZBM-TWJOJJKGBS
Std. InChI: InChI=1S/C29H26N2O4/c1-20-18-31-26-17-24(35-28(31)30-27(20)32)25(34-26)19-33-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-26H,17,19H2,1H3/t24-,25-,26-/m1/s1
Std. InChIKey: BNYSGZUWMUNZBM-TWJOJJKGSA-N
Product Categories of 5-O-Triphenylmethyl-2-deoxy-2,3-didehyrothymidine (CAS NO.25442-42-6): Bases & Related Reagents;Nucleotides