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CAS No.: | 38972-84-8 |
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Name: | 2',3',5'-Triacetylinosine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C16H18N4O5 |
Molecular Weight: | 346.343 |
Synonyms: | N-(Benzyloxycarbonyl)glycyl-L-histidine;N-Carbobenzoxyglycyl-L-histidine;NSC117524;Z-Gly-His-OH; |
EINECS: | 1806241-263-5 |
Density: | 1.384 g/cm3 |
Boiling Point: | 757.2 °C at 760 mmHg |
Flash Point: | 411.7 °C |
Appearance: | white or almost white crystalline powder |
PSA: | 133.41000 |
LogP: | 1.22980 |
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The L-Histidine,N-[(phenylmethoxy)carbonyl]glycyl-, with CAS registry number 38972-84-8, has the systematic name of N-[(benzyloxy)carbonyl]glycylhistidine. Besides this, it is also called 2',3',5'-Triacetylinosine. This chemical should be stored at the temperature of -15°C. And the chemical formula of this chemical is C16H18N4O5.
Physical properties of L-Histidine,N-[(phenylmethoxy)carbonyl]glycyl-: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 9; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 93.97 Å2; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 86.49 cm3; (13)Molar Volume: 250.2 cm3; (14)Polarizability: 34.28×10-24cm3; (15)Surface Tension: 66 dyne/cm; (16)Density: 1.383 g/cm3; (17)Flash Point: 411.7 °C; (18)Enthalpy of Vaporization: 115.75 kJ/mol; (19)Boiling Point: 757.2 °C at 760 mmHg; (20)Vapour Pressure: 4.28E-24 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)NCC(=O)NC(C(=O)O)Cc2cncn2
(2)InChI: InChI=1/C16H18N4O5/c21-14(20-13(15(22)23)6-12-7-17-10-19-12)8-18-16(24)25-9-11-4-2-1-3-5-11/h1-5,7,10,13H,6,8-9H2,(H,17,19)(H,18,24)(H,20,21)(H,22,23)
(3)InChIKey: MGWOHDNBHDHWGD-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C16H18N4O5/c21-14(20-13(15(22)23)6-12-7-17-10-19-12)8-18-16(24)25-9-11-4-2-1-3-5-11/h1-5,7,10,13H,6,8-9H2,(H,17,19)(H,18,24)(H,20,21)(H,22,23)
(5)Std. InChIKey: MGWOHDNBHDHWGD-UHFFFAOYSA-N