2-methylpropyl 3-oxo-3H-phenoxazin-7-yl carbonate

• ChemBase编号: 155950
• 分子式: C17H15NO5
• 平均质量: 313.3047
• 单一同位素质量: 313.09502259
• SMILES: CC(C)COC(=O)Oc1ccc2c(c1)oc1cc(=O)ccc1n2
• Canonical SMILES: CC(COC(=O)Oc1ccc2c(c1)oc1c(n2)ccc(=O)c1)C
• InChI: InChI=1S/C17H15NO5/c1-10(2)9-21-17(20)22-12-4-6-14-16(8-12)23-15-7-11(19)3-5-13(15)18-14/h3-8,10H,9H2,1-2H3
• InChIKey: RVDFSVVDUVHHKE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methylpropyl 3-oxo-3H-phenoxazin-7-yl carbonate
• IUPAC传统名: 2-methylpropyl 7-oxophenoxazin-3-yl carbonate
• 别名: O7-(Isobutyloxycarbonyl)resorufin; 7-(Isobutoxycarbonyloxy)-3H-phenoxazin-3-one

登记号

• CAS号: 251292-24-7
• MDL号: MFCD03791103
• PubChem SID: 162250088; 24887511
• PubChem CID: 4126589

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.54861
• LogD (pH = 7.4): 3.54861
• Log P: 3.54861
• 摩尔折射率: 86.4439 cm^3
• 极化性: 31.570238 Å^3
• 极化表面积: 74.19 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 荧光: λex 500 nm; λem ~593 nm in 0.1 M Tris pH 8.0 (after cleavage by esterase)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥97.0% (HPLC)
• 适用性: suitable for fluorescence
• Empirical Formula (Hill Notation): C17H15NO5

详细说明

Sigma Aldrich - 79972

Other Notes
Fluorogenic indicator for cell viability, cell permeant, ~2-times higher sensitivity than calcein-AM; additionally, 80-90 nm more long-wave shift of spectra. Shows esterase activity1