hexafluoro-λ5-phosphanuide; tris(pyrrolidin-1-yl)({3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy})phosphanium

• ChemBase编号: 146866
• 分子式: C17H27F6N7OP2
• 平均质量: 521.3805212
• 单一同位素质量: 521.1656511
• SMILES: c1cc2c(nc1)n(nn2)O[P+](N1CCCC1)(N1CCCC1)N1CCCC1.F[P-](F)(F)(F)(F)F
• Canonical SMILES: C1CCN(C1)[P+](N1CCCC1)(N1CCCC1)On1nnc2c1nccc2.F[P-](F)(F)(F)(F)F
• InChI: InChI=1S/C17H27N7OP.F6P/c1-2-11-21(10-1)26(22-12-3-4-13-22,23-14-5-6-15-23)25-24-17-16(19-20-24)8-7-9-18-17;1-7(2,3,4,5)6/h7-9H,1-6,10-15H2;/q+1;-1
• InChIKey: CBZAHNDHLWAZQC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: hexafluoro-λ^5-phosphanuide; tris(pyrrolidin-1-yl)({3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy})phosphanium
• IUPAC传统名: tris(pyrrolidin-1-yl)({[1,2,3]triazolo[4,5-b]pyridin-3-yloxy})phosphanium hexafluorophosphate
• 别名: 六氟磷酸(7-氮杂苯并三唑-1-氧基)三吡咯烷磷; (7-氮杂-1H-苯并三唑-1-氧基)三(1-吡咯烷基)磷六氟磷酸盐; (3-Hydroxy-3H-1,2,3-triazolo[4,5-b]pyridinato-O)tri-1-pyrrolidinyl-phosphorus hexafluorophosphate; PyAOP; (7-Azabenzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate; ((3H-[1,2,3]Triazolo[4,5-b]pyridin-3-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V); (7-Aza-1H-benzotriazol-1-yloxy)tri(1-pyrrolidinyl)phosphonium hexafluorophosphate

登记号

• CAS号: 156311-83-0
• MDL号: MFCD03703417
• PubChem SID: 162241058
• PubChem CID: 11038641

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): -0.2389123
• LogD (pH = 7.4): -0.23891178
• Log P: -0.23891178
• 摩尔折射率: 112.5417 cm^3
• 极化性: 40.486683 Å^3
• 极化表面积: 62.55 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 163-168 °C(lit.); 163-168°C

安全信息

• RTECS编号: TH3890000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36; 26-37-60
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C

产品相关信息

• 纯度: 95+%; 96%; 99+%
• Empirical Formula (Hill Notation): C17H27F6N7OP2

详细说明

Sigma Aldrich - 535303

包装
1, 5 g in poly bottle
Legal Information
经 PE Biosystems 授权销售
法律信息
ReactIR is a trademark of Mettler-Toledo, Inc.
Application
Reagent for synthesis of: Cyclic RGC pentapeptides for functionalization through click chemistry1 Fluorescent glucose bioprobes2 ReactIR™ flow cell3Reagent for: Disulfide bond engineering4 Heteroaryl ether synthesis5 Optimization of conformational constraint on non-phosphorylated cyclic peptide antagonists of the Grb2-SH2 domain6