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CAS No.: | 59711-96-5 |
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Name: | Etimicin |
Molecular Structure: | |
Formula: | C21H43N5O7 |
Molecular Weight: | 477.60 |
Synonyms: | Etimicin |
EINECS: | 1312995-182-4 |
Density: | 1.304 g/cm3 |
Boiling Point: | 683.444 °C at 760 mmHg |
Flash Point: | 367.134 °C |
PSA: | 199.73000 |
LogP: | -0.44320 |
This chemical is called Etimicin, and its CAS registry number is 59711-96-5. With the molecular formula of C21H43N5O7, its molecular weight is 477.60.
Other characteristics of the Etimicin can be summarised as followings: (1) # of Rule of 5 Violations: 2; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 12; (7)#H bond donors: 11; (8)#Freely Rotating Bonds: 14; (9)Polar Surface Area: 199.73 Å2; (10)Index of Refraction: 1.584; (11)Molar Refractivity: 122.667 cm3; (12)Molar Volume: 366.277 cm3; (13)Polarizability: 48.629×10-24cm3; (14)Surface Tension: 63.711 dyne/cm; (15)Density: 1.304 g/cm3; (16)Flash Point: 367.134 °C; (17)Enthalpy of Vaporization: 114.666 kJ/mol; (18)Boiling Point: 683.444 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CCN[C@@H]1C[C@@H](C([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N
2.InChI: InChI=1/C21H43N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h10-20,25-29H,4-9,22-24H2,1-3H3/t10-,11+,12-,13+,14-,15+,16?,17-,18+,19+,20+,21-/m0/s1
3.InChIKey: NZGMVSJQULXLHF-GKXRZTCBBC