dipotassium 8-amino-3-[(hydrazinecarbonyl)amino]-2,4-dioxo-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-7,11-disulfonate

• ChemBase编号: 104260
• 分子式: C13H9K2N5O9S2
• 平均质量: 521.56526
• 单一同位素质量: 520.91158225
• SMILES: [K+].[K+].NNC(=O)Nn1c(=O)c2c3c(cc(c2)S(=O)(=O)[O-])c(N)c(cc3c1=O)S(=O)(=O)[O-]
• Canonical SMILES: NNC(=O)Nn1c(=O)c2cc(cc3c2c(c1=O)cc(c3N)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]
• InChI: InChI=1S/C13H11N5O9S2.2K/c14-10-5-1-4(28(22,23)24)2-6-9(5)7(3-8(10)29(25,26)27)12(20)18(11(6)19)17-13(21)16-15;;/h1-3H,14-15H2,(H2,16,17,21)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
• InChIKey: HCWYSCVNSCIZCN-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: dipotassium 8-amino-3-[(hydrazinecarbonyl)amino]-2,4-dioxo-3-azatricyclo[7.3.1.0^5,^1^3]trideca-1(13),5,7,9,11-pentaene-7,11-disulfonate; dipotassium 8-amino-3-[(hydrazinecarbonyl)amino]-2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-7,11-disulfonate
• IUPAC传统名: dipotassium 8-amino-3-[(hydrazinecarbonyl)amino]-2,4-dioxo-3-azatricyclo[7.3.1.0^5,^1^3]trideca-1(13),5,7,9,11-pentaene-7,11-disulfonate; dipotassium ion 8-amino-3-[(hydrazinecarbonyl)amino]-2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-7,11-disulfonate
• 别名: Lucifer Yellow CH dipotassium salt; LUCIFER YELLOW CH

登记号

• CAS号: 71206-95-6
• MDL号: MFCD00013445
• Beilstein号: 5224942
• PubChem SID: 162091925; 24896249
• PubChem CID: 12087397

理论计算性质

• Acid pKa: -2.7883873
• 质子受体: 11
• 质子供体: 4
• LogD (pH = 5.5): -6.746373
• LogD (pH = 7.4): -6.757912
• Log P: -5.025806
• 摩尔折射率: 95.4937 cm^3
• 极化性: 37.817455 Å^3
• 极化表面积: 244.95 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: orange powder
• 荧光: λex 428 nm; λem 540 nm

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: room temp

产品相关信息

• Empirical Formula (Hill Notation): C13H9K2N5O9S2

详细说明

MP Biomedicals - 02155266

Dipotassium Salt A highly fluorescent dye. Useful in marking nerve cells.

Sigma Aldrich - L0144

Features and Benefits
Highly fluorescent dye, useful in marking nerve cells.1
包装
25, 100 mg in glass bottle

参考文献

• Stewart, W., Cell, 14: 741, (1978).