纤维素,醋酸丙酸酯
Cellulose, acetate propanoate · CAS 9004-39-1
- 中文名
- 纤维素,醋酸丙酸酯
- 中文别名
- 暂无
- 英文名
- Cellulose, acetate propanoate
- CAS
- 9004-39-1
- CID
- 3084039
- IUPAC 名称
- 2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;[4,5,6-triacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate;[4,5,6-tri(propanoyloxy)-3-[3,4,5-tri(propanoyloxy)-6-(propanoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate
名称与编号
- 中文名
- 纤维素,醋酸丙酸酯
- 中文别名
- 暂无
- 英文名
- Cellulose, acetate propanoate
- CAS
- 9004-39-1
- CID
- 3084039
- IUPAC 名称
- 2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;[4,5,6-triacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate;[4,5,6-tri(propanoyloxy)-3-[3,4,5-tri(propanoyloxy)-6-(propanoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate
分子属性
- 分子式
- C76H114O49
- 分子量
- 1811.7 g/mol
- 精确质量
- 1810.64287 Da
- 单同位素质量
- 1810.64287 Da
- XLogP
- 暂无
- 极性表面积
- 666 Ų
- 氢键供体
- 8
- 氢键受体
- 49
- 可旋转键
- 52
- 重原子数
- 125
- 净电荷
- 0
- 结构复杂度
- 2910
结构标识
- InChIKey
- HKQOBOMRSSHSTC-UHFFFAOYSA-N
- SMILES
- CCC(=O)OCC1C(C(C(C(O1)OC(=O)CC)OC(=O)CC)OC(=O)CC)OC2C(C(C(C(O2)COC(=O)CC)OC(=O)CC)OC(=O)CC)OC(=O)CC.CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
- InChI
- InChI=1S/C36H54O19.C28H38O19.C12H22O11/c1-9-21(37)45-17-19-29(49-23(39)11-3)31(50-24(40)12-4)34(53-27(43)15-7)36(48-19)55-30-20(18-46-22(38)10-2)47-35(54-28(44)16-8)33(52-26(42)14-6)32(30)51-25(41)13-5;1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33;13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h19-20,29-36H,9-18H2,1-8H3;19-28H,9-10H2,1-8H3;3-20H,1-2H2