(3R,14S)-6,7,17,18-tetramethoxy-1,12-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-4,6,8,15(20),16,18-hexaene

• ChemBase编号: 193749
• 分子式: C24H30N2O4
• 平均质量: 410.506
• 单一同位素质量: 410.22055745
• SMILES: N12[C@H](c3c(cc(c(c3)OC)OC)CC2)CN2[C@@H](c3c(cc(c(c3)OC)OC)CC2)C1
• Canonical SMILES: COc1cc2c(cc1OC)CCN1[C@H]2CN2CCc3c([C@H]2C1)cc(c(c3)OC)OC
• InChI: InChI=1S/C24H30N2O4/c1-27-21-9-15-5-7-25-14-20-18-12-24(30-4)22(28-2)10-16(18)6-8-26(20)13-19(25)17(15)11-23(21)29-3/h9-12,19-20H,5-8,13-14H2,1-4H3/t19-,20+
• InChIKey: GMQSAPMDFWUBGN-BGYRXZFFSA-N

名称和登记号

名称

• IUPAC标准名: (3R,14S)-6,7,17,18-tetramethoxy-1,12-diazapentacyclo[12.8.0.0^3,^1^2.0^4,^9.0^1^5,^2^0]docosa-4,6,8,15(20),16,18-hexaene
• IUPAC传统名: (3R,14S)-6,7,17,18-tetramethoxy-1,12-diazapentacyclo[12.8.0.0^3,^1^2.0^4,^9.0^1^5,^2^0]docosa-4,6,8,15(20),16,18-hexaene

登记号

• PubChem SID: 164249659
• PubChem CID: 1208306

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 2.066606
• LogD (pH = 7.4): 3.009444
• Log P: 3.0548613
• 摩尔折射率: 117.0758 cm^3
• 极化性: 45.428165 Å^3
• 极化表面积: 43.4 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds