Destomycin A (CAS NO.14918-35-5)

Molecular Formula: C20H37N3O13
Molecular Weight: 527.60g/mol
Mol File: 14918-35-5.mol
Boiling point: 897.6 °C at 760 mmHg
Flash Point: 496.7 °C
Density: 1.67 g/cm3
Surface Tension: 103.2 dyne/cm
Enthalpy of Vaporization: 148.17 kJ/mol
XLogP3-AA: -6.6
H-Bond Donor: 11
H-Bond Acceptor: 16
Structure Descriptors of Destomycin A (CAS NO.14918-35-5):
  IUPAC Name: 4-[3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-(1-amino-2-hydroxyethyl)-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol
  Canonical SMILES: CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)N
  InChI: InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3 
  InChIKey: GRRNUXAQVGOGFE-UHFFFAOYSA-N

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