烟碱 nictoflorin
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iupac名称 IUPAC Name :5,7-二羟基-2-（4-羟基苯基）-3-[（2s 7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
INCHI InChI :INCHI InChI=1/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
印地 Std.InChI: INCHI InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
INCHI基 InChIKey :RTATXGUCZHCSNG-QHWHWDPRBU
标准奇奇 Std.InChIKey: RTATXGUCZHCSNG-QHWHWDPRSA-N
微笑 SMILES :C[c @ h C@H]1[C@@H]([c @ h C@H]([c @ h C@H]([C@@H](O1)OC[C@@H]2[c @ h C@H]([C@@H]([c @ h C@H]([C@@H](O2)Oc3c(= o =O)c4c(cc cc(cc cc4oc3c5cc ccc(cc cc5)O)O)O)O)O)O)O)O)O
MDL : mfcd03427292 MFCD03427292
磨牙 Molar 折射率 Refractivity :136.64 ± 0.4 cm3 (估 est)
Parachor :1102.6 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.744 ± 0.03
(估 est)
表面张力 Surface Tension :114.0 ± 5.0 dyne/cm (估 est)
密度 Density :1.76 ± 0.1 g/cm3 (估 est)
极化率 Polarizability :54.16 ± 0.5 10-24cm3 (估 est)