1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde（CAS番号：303-45-7）

1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde

基本情報

編集器で閲覧

CAS番号

303-45-7

分子式

C30H30O8

分子量

518.56 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品アルデヒド類

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

基本的な物理特性

物理状態

Powder

融点

181-183 C

沸点

707.9±55.0℃ at 760 mmHg

水溶性

Soluble in 100%ethanol (25 mg/ml), DMF (25 mg/ml), acetone, DMSO (25 mM), methanol (2 mg/ml), ether, chloroform, sodium carbonate, and dilute aqueous solutions of ammonia . Insoluble in water. Gossypol is a male antifertility agent with antispermatogenic activity and has been shown to contain antitumor, anitviral, and antioxidant properties.

引火点

395.9 ºC

溶解度

Very soluble in methanol, ethanol, cold dioxane, diethylene glucol, ether, ethyl acetate, acetone, carbon tetrachloride, pyridine, chloroform, DMF, lipds. Freely soluble (with slow desomposition) in dilute aqueous solutions of ammonia and sodium carbonate. Slightly soluble in glycerol, cyclohexane. Insoluble in water.

屈折率

1.4900 (estimate)

蒸気圧

7.06X10-21 mm Hg at 25 °C (est)

SMILES

編集器で閲覧

CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O

InChI

InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3

InChIKey

QBKSWRVVCFFDOT-UHFFFAOYSA-N

LogP

6.382240000000008

トポロジカル極性表面積

155.51999999999998 Å²

水素結合ドナー/アクセプター

6 / 8

複雑度

780

安全情報

安全情報を表示

GHS危険象形図

H351

危険性の表示

H351 発がんのおそれの疑い
発がん性

保管条件

2-8℃

同義語と引用データ

英語

AC-30274
CAS-303-45-7
UNII-KAV15B369O
CHEMBL51483
GOSSYPOL [VANDF]
C07667
(-)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde
SR-01000597521-1
NCGC00016423-10
KBio3_002024
MFCD00017352
Tox21_110434_1
BDBM23223
KBio2_005975
BCP03607
(+)-Gossypol
HMS3268O22
BSPBio_000773
7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
R-(-)-gossypol
(2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, (-)-
HMS3262J15
(R)-2,2'-BIS(8-FORMYL-1,6,7-TRIHYDROXY-5-ISOPROPYL-3-METHYLNAPHTHALENE)
GO3
AT 101
Spectrum5_000693
Tox21_110434
NCGC00016423-03
Spectrum_000359
KBio2_002001
Prestwick0_000677