Product Name

Benzyl-amp Specification

The 5'-Adenylic acid, N-(phenylmethyl)-, with the CAS registry number 13484-66-7, is also known as Benzyl-amp. This chemical's molecular formula is C17H20N5O7P and molecular weight is 437.34. What's more, its IUPAC name is [(2R, 3S, 4R, 5R)-5-[6-(Benzylamino)purin-9-yl]-3, 4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.

Physical properties about 5'-Adenylic acid, N-(phenylmethyl)- are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2.93; (4)ACD/LogD (pH 7.4): -3.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 129.1 Å2; (13)Index of Refraction: 1.774; (14)Molar Refractivity: 100.76 cm3; (15)Molar Volume: 241.4 cm3; (16)Polarizability: 39.94×10-24 cm3; (17)Surface Tension: 89.9 dyne/cm; (18)Density: 1.81 g/cm3; (19)Flash Point: 436.7 °C; (20)Enthalpy of Vaporization: 121.77 kJ/mol; (21)Boiling Point: 798.5 °C at 760 mmHg; (22)Vapour Pressure: 6.67E-27 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(O)OC[C@H]4O[C@@H](n2cnc1c(ncnc12)NCc3ccccc3)[C@H](O)[C@@H]4O
(2) InChI: InChI=1/C17H20N5O7P/c23-13-11(7-28-30(25,26)27)29-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,18,19,20)(H2,25,26,27)/t11-,13-,14-,17-/m1/s1
(3) InChIKey: DWVANBHPEPSMOV-LSCFUAHRBM

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