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名称

青蒿素

分子类型

小分子

别名

黄花蒿素

英文别名

英文名称

Artemisinin

货号

A110205-100mg

包装规格

100mg

级别

分析标准品

运输条件

常规运输

CAS号

63968-64-9

分子式

C15H22O5

分子量

282.33 g/mol

MDL号

MFCD00081057

PubChem编号

68827

Isomeric SMILES

C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C

IIUPAC Name

(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

INCHI

1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1

InChi Key

BLUAFEHZUWYNDE-NNWCWBAJSA-N

Smiles

CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C

溶解性

Soluble in methanol, ethanol (24 mg/ml) at 25 °C, DMF, DMSO (57 mg/ml) at 25 °C, acetone, chloroform (25 mg/ml), dichloromethane, and ethyl acetate; almost insoluble in water.

熔点

156-157°C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

282.147 Da

单同位素质量Monoisotopic Mass

282.147 Da

拓扑极表面积Topological Polar Surface Area

54.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

452.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.800

密度

1.24

比旋光度

75 ° (C=0.5, MeOH)

Reaxy-Rn

6770021

Merck Index

817

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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