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Korilagin – Wikipedija/Википедија

Korilagin
Identifikacija
CAS registarski broj 23094-69-1 Da
PubChem[1][2] 73568
ChemSpider[3] 4265734 Da
ChEMBL[4] CHEMBL449392 Da
Jmol-3D slike Slika 1

O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3c4c(O)c(O)c(O)cc4C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c5cc(O)c(O)c(O)c5)O2

InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1 Da
Kod: TUSDEZXZIZRFGC-XIGLUPEJSA-N Da


InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1

Svojstva
Molekulska formula C27H22O18
Molarna masa 634.45 g mol−1


Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala

Infobox references

Korilagin je organsko jedinjenje, koje sadrži 27 atoma ugljenika i ima molekulsku masu od 634,453 Da.

Osobina Vrednost
Broj akceptora vodonika 18
Broj donora vodonika 11
Broj rotacionih veza 3
Particioni koeficijent[5] (ALogP) 1,1
Rastvorljivost[6] (logS, log(mol/L)) -0,2
Polarna površina[7] (PSA, Å2) 310,7
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  6. Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488-1493. DOI:10.1021/ci000392t. PMID 11749573.
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