82657-04-3 Purity
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Specification
The molecular formula of Passicapsin is C18H27NO10.
Passicapsin was created on August 8, 2005.
The molecular weight of Passicapsin is 417.4 g/mol.
The IUPAC name of Passicapsin is (1S,4S)-4-[(2S,4S,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile.
The InChI of Passicapsin is InChI=1S/C18H27NO10/c1-8-13(22)10(21)4-12(26-8)27-9-2-3-18(5-9,7-19)29-17-16(25)15(24)14(23)11(6-20)28-17/h2-3,8-17,20-25H,4-6H2,1H3/t8-,9-,10+,11-,12-,13+,14,15+,16-,17+,18-/m1/s1.
Passicapsin has 6 hydrogen bond donor counts.
Passicapsin has 11 hydrogen bond acceptor counts.
The topological polar surface area of Passicapsin is 182?2.
Passicapsin has 5 rotatable bond counts.
The XLogP3-AA value of Passicapsin is -2.4.