2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.0^{15,20}]octatriaconta-1(34),15(20),16,18,35,37-hexaene

• ChemBase编号: 7003
• 分子式: C28H40O10
• 平均质量: 536.6112
• 单一同位素质量: 536.26214748
• SMILES: c12c(cccc1)OCCOCCOCCOCCOc1c(OCCOCCOCCOCCO2)cccc1
• Canonical SMILES: O1CCOCCOc2ccccc2OCCOCCOCCOCCOc2c(OCCOCC1)cccc2
• InChI: InChI=1S/C28H40O10/c1-2-6-26-25(5-1)35-21-17-31-13-9-29-11-15-33-19-23-37-27-7-3-4-8-28(27)38-24-20-34-16-12-30-10-14-32-18-22-36-26/h1-8H,9-24H2
• InChIKey: MXCSCGGRLMRZMF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.0^{15,20}]octatriaconta-1(34),15(20),16,18,35,37-hexaene; 2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.0^1^5,^2^0]octatriaconta-1(38),15,17,19,34,36-hexaene
• IUPAC传统名: 2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.0^{15,20}]octatriaconta-1(34),15(20),16,18,35,37-hexaene; 2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.0^1^5,^2^0]octatriaconta-1(38),15,17,19,34,36-hexaene
• 别名: 2,3,17,18-双苯并-1,4,7,10,13,16,19,22,25,28-十氧环三十-2,17-二烯; 二苯并-30-冠-10; Dibenzo-30-crown-10; Dibenzo-30-crown-10-ether; 2,3,17,18-Dibenzo-1,4,7,10,13,16,19,22,25,28-decaoxacyclotriaconta-2,17-diene; Dibenzo-30-crown-10

登记号

• CAS号: 17455-25-3
• MDL号: MFCD00054624
• Beilstein号: 1632489
• PubChem SID: 160970310; 24859903
• PubChem CID: 87120

理论计算性质

• 质子受体: 10
• 质子供体: 0
• LogD (pH = 5.5): 2.6909037
• LogD (pH = 7.4): 2.6909037
• Log P: 2.6909037
• 摩尔折射率: 140.2918 cm^3
• 极化性: 55.588036 Å^3
• 极化表面积: 92.3 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 106-108 °C(lit.); 106-108°C

安全信息

• 保存注意事项: IRRITANT
• 德国WGK号: 3
• TSCA收录: false
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C28H40O10

详细说明

Sigma Aldrich - 332518

包装
1 g in glass bottle
250 mg in glass bottle