2,2',2'',2'''-{(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylenenitrilo]}tetraacetic acid（CAS番号：1611-35-4）

2,2',2'',2'''-{(1,1-dioido-3H-2,1-benzoksathīole-3,3-diyl)bis[(6-ankaicyuri-5-methyl-3,1-phenylene)methyurenino]}tetraaketisuurasu

基本情報

編集器で閲覧

CAS番号

1611-35-4

分子式

C31H32N2O13S

分子量

672.67 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複素環化合物

医薬化学品医薬中間体複素環中間体

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

実験室化学品研究用化学品生化学試薬

基本的な物理特性

融点

72-76 °C

沸点

895.1±65.0 °C at 760 mmHg

引火点

495.1±34.3 °C

屈折率

1.674

SMILES

編集器で閲覧

CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C31H32N2O13S/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)

InChIKey

ORZHVTYKPFFVMG-UHFFFAOYSA-N

LogP

1.6678399999999998

pKa

2.6, 6.4, 6.5, 10.5, 12.3(at 25℃)

トポロジカル極性表面積

239.50999999999996 Å²

水素結合ドナー/アクセプター

6 / 15

複雑度

1170

安全情報

安全情報を表示

感度

prone to moisture absorption

同義語と引用データ

英語

1611-35-4
NSC324982
ORZHVTYKPFFVMG-UHFFFAOYSA-N
N,N'-(3H-2,1-Benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxy methyl)glycine) S,S-dioxide
EINECS 216-553-8
NSC 324982
CS-0169096
Acetic acid, (3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-m-phenylene)methylenenitrilo))tetra-, S,S-dioxide
NSC-324982
S2VDY878QD
ACETIC ACID, ((.ALPHA.-HYDROXY-O-SULFOBENZYLIDENE)BIS((6-HYDROXY-5-METHYL-M-PHENYLENE)METHYLENENITRILO))TETRA-, .GAMMA.-SULTONE
m-Cresolphthalexon S
D88656
A810230
3,N-di-(carboxymethyl)aminomethyl]cresolsulfonephthalein
SCHEMBL41934
AKOS030228392
cresol phthalexon s
Glycine,N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-
Acetic acid,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-m-phenylene)methylenenitrilo]]tetra-, S,S-dioxide
DTXSID1061819
MFCD00014580
Glycine,N'-[[hydroxy(2-sulfophenyl)methylene]bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, .gamma.-sultone
Glycine,N'-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, S,S-dioxide
{[5-(3-{3-[(Bis-carboxymethyl-amino)-methyl]-4-hydroxy-5-methyl-phenyl}-1,1-dioxo-1,3-dihydro-1.lambda.6-benzo[c][1,2]oxathiol-3-yl)-2-hydroxy-3-methyl-benzyl]-carboxymethyl-amino}-acetic acid
2,2',2'',2'''-((((1,1-Dioxido-3H-benzo[c][1,2]oxathiole-3,3-diyl)bis(6-hydroxy-5-methyl-3,1-phenylene))bis(methylene))bis(azanetriyl))tetraaceticacid
2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
3,3'-Bis(N,N-di-(carboxymethyl)aminomethyl)cresolsulfonephthalein
Glycine, N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, S,S-dioxide
2,2',2'',2'''-((((1,1-Dioxido-3H-benzo[c][1,2]oxathiole-3,3-diyl)bis(6-hydroxy-5-methyl-3,1-phenylene))bis(methylene))bis(azanetriyl))tetraacetic acid
Xylenol orange