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Product details

名称

1alpha,25-dihydroxy-2-methylene-19-nor-20-epivitamin D3/1alpha,25-dihydroxy-2-methylene-19-nor-20-epicholecalciferol, 维生素 D 受体激动剂

分子类型

小分子

别名

1α,25-二羟基-2-亚甲基-19-去甲-20-表维生素 D3/1α,25-二羟基-2-亚甲基-19-去甲-20-表胆钙化醇

英文别名

英文名称

1alpha,25-dihydroxy-2-methylene-19-nor-20-epivitamin D3/1alpha,25-dihydroxy-2-methylene-19-nor-20-epicholecalciferol

货号

A671002-1mg

包装规格

1mg

分子式

C27H44O3

分子量

416.6 g/mol

PubChem编号

5289549

Isomeric SMILES

C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C

IIUPAC Name

(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol

INCHI

1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22+,23-,24+,25+,27+/m0/s1

InChi Key

UHMPCVGLSKFXHR-NAQZCRMNSA-N

Smiles

CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)C

PubChem CID

5289549

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

416.329 Da

单同位素质量Monoisotopic Mass

416.329 Da

拓扑极表面积Topological Polar Surface Area

60.700 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

672

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.8

ALogP

4.8

作用类型

激动剂

作用机制

维生素 D 受体激动剂

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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