7-[[4-[[4-[(2-氰氨基-1,4-二氢-6- 羟基-4-氧代-5-嘧啶基)偶氮]苯甲酰] 氨基]-3-甲氧基苯基]偶氮]-1,3-萘二 磺酸与2,2',2''-次氮基三乙醇(1:2) 的混合物
1,3-Naphthalenedisulfonic acid, 7-[2-[4-[[4-[2-[2-(cyanoamino)-1,6-dihydro-4-hydroxy-6-oxo-5-pyrimidinyl]diazenyl]benzoyl]amino]-3-methoxyphenyl]diazenyl]-, compd. with 2,2a(2),2a(2)a(2)-nitrilotris[ethanol] (1:2) · CAS 115811-45-5
- 中文名
- 7-[[4-[[4-[(2-氰氨基-1,4-二氢-6- 羟基-4-氧代-5-嘧啶基)偶氮]苯甲酰] 氨基]-3-甲氧基苯基]偶氮]-1,3-萘二 磺酸与2,2',2''-次氮基三乙醇(1:2) 的混合物
- 中文别名
- 暂无
- 英文名
- 1,3-Naphthalenedisulfonic acid, 7-[2-[4-[[4-[2-[2-(cyanoamino)-1,6-dihydro-4-hydroxy-6-oxo-5-pyrimidinyl]diazenyl]benzoyl]amino]-3-methoxyphenyl]diazenyl]-, compd. with 2,2a(2),2a(2)a(2)-nitrilotris[ethanol] (1:2)
- CAS
- 115811-45-5
- CID
- 177844254
- IUPAC 名称
- 7-[[4-[[4-[[2-(cyanoamino)-4,6-dihydroxypyrimidin-5-yl]diazenyl]benzoyl]amino]-3-methoxyphenyl]diazenyl]naphthalene-1,3-disulfonate;bis(tris(2-hydroxyethyl)azanium)
名称与编号
- 中文名
- 7-[[4-[[4-[(2-氰氨基-1,4-二氢-6- 羟基-4-氧代-5-嘧啶基)偶氮]苯甲酰] 氨基]-3-甲氧基苯基]偶氮]-1,3-萘二 磺酸与2,2',2''-次氮基三乙醇(1:2) 的混合物
- 中文别名
- 暂无
- 英文名
- 1,3-Naphthalenedisulfonic acid, 7-[2-[4-[[4-[2-[2-(cyanoamino)-1,6-dihydro-4-hydroxy-6-oxo-5-pyrimidinyl]diazenyl]benzoyl]amino]-3-methoxyphenyl]diazenyl]-, compd. with 2,2a(2),2a(2)a(2)-nitrilotris[ethanol] (1:2)
- CAS
- 115811-45-5
- CID
- 177844254
- IUPAC 名称
- 7-[[4-[[4-[[2-(cyanoamino)-4,6-dihydroxypyrimidin-5-yl]diazenyl]benzoyl]amino]-3-methoxyphenyl]diazenyl]naphthalene-1,3-disulfonate;bis(tris(2-hydroxyethyl)azanium)
分子属性
- 分子式
- C41H51N11O16S2
- 分子量
- 1018 g/mol
- 精确质量
- 1017.29566693 Da
- 单同位素质量
- 1017.29566693 Da
- XLogP
- 暂无
- 极性表面积
- 451 Ų
- 氢键供体
- 12
- 氢键受体
- 24
- 可旋转键
- 20
- 重原子数
- 70
- 净电荷
- 0
- 结构复杂度
- 1520
结构标识
- InChIKey
- DBECWZSORDKNTK-UHFFFAOYSA-N
- SMILES
- COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC=C(C=C4)N=NC5=C(N=C(N=C5O)NC#N)O.C(CO)[NH+](CCO)CCO.C(CO)[NH+](CCO)CCO
- InChI
- InChI=1S/C29H21N9O10S2.2C6H15NO3/c1-48-23-12-19(37-36-18-7-4-16-10-20(49(42,43)44)13-24(21(16)11-18)50(45,46)47)8-9-22(23)32-26(39)15-2-5-17(6-3-15)35-38-25-27(40)33-29(31-14-30)34-28(25)41;2*8-4-1-7(2-5-9)3-6-10/h2-13H,1H3,(H,32,39)(H,42,43,44)(H,45,46,47)(H3,31,33,34,40,41);2*8-10H,1-6H2