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Name |
Arteannuin A |
EINECS | N/A |
CAS No. | 82442-48-6 | Density | 1.14 g/cm3 |
PSA | 26.30000 | LogP | 2.54030 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H26O5 | Boiling Point | 395.7 °C at 760 mmHg |
Molecular Weight | 298.3746 | Flash Point | 172.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Artemisin A;Qing Hau Sau I; |
The Arteannuin A, with the CAS registry number 82442-48-6, is also known as Artemisin A. This chemical's molecular formula is C16H26O5 and molecular weight is 298.3746. What's more, its systematic name is called 3,6,7,10-Tetramethyloctahydro-10,13a-epoxyfuro[2,3-d][1,2]dioxacyclododecin-2(3H,13H)-one.
Physical properties about Arteannuin A are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 53.99 Å2; (7)Index of Refraction: 1.502; (8)Molar Refractivity: 77 cm3; (9)Molar Volume: 260.9 cm3; (10)Surface Tension: 39.3 dyne/cm; (11)Density: 1.14 g/cm3; (12)Flash Point: 172.6 °C; (13)Enthalpy of Vaporization: 64.59 kJ/mol; (14)Boiling Point: 395.7 °C at 760 mmHg; (15)Vapour Pressure: 1.81E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C3OC12OC(OOC1)(CCC(C)C(C)CCC2C3C)C
(2) InChI: InChI=1/C16H26O5/c1-10-5-6-13-12(3)14(17)19-16(13)9-18-21-15(4,20-16)8-7-11(10)2/h10-13H,5-9H2,1-4H3
(3) InChIKey: QBLBNJZBBOOWJR-UHFFFAOYAZ