[(5R,5aR,8aR,9R)-8-...

[(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] carbamimidothioate,hydrobromide 51887-97-9

[(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] carbamimidothioate,hydrobromide 51887-97-9

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

Podophyllotoxin isothiuronium bromide [(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] carbamimidothioate,hydrobromide 51887-97-9

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  • Appearance:Liquid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
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Details:

Identification and Related Records
【Name】
8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl carbamimidothioate
【CAS Registry number】
51887-97-9
【Molecular Formula】
C23H24N2O7S (Products with the same molecular formula)
【Molecular Weight】
472.5109
【Inchi】
InChI=1/C23H24N2O7S/c1-27-16-4-10(5-17(28-2)20(16)29-3)18-11-6-14-15(32-9-31-14)7-12(11)21(33-23(24)25)13-8-30-22(26)19(13)18/h4-7,13,18-19,21H,8-9H2,1-3H3,(H3,24,25)
【Canonical SMILES】
COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)SC(=N)N.[Br-]
【Isomers smiles】
COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)
OCO5)SC(=N)N.[Br-]
【MOL File】
51887-97-9.mol
Chemical and Physical Properties
【Density】
1.56g/cm3
【Boiling Point】
651.7°C at 760 mmHg
【Refractive Index】
1.696
【Flash Point】
348°C
【Computed Properties】
Molecular Weight:552.41486 [g/mol]
Molecular Formula:C23H24BrN2O7S-
H-Bond Donor:2
H-Bond Acceptor:10
Rotatable Bond Count:6
Tautomer Count:2
Exact Mass:551.048759
MonoIsotopic Mass:551.048759
Topological Polar Surface Area:148
Heavy Atom Count:34
Formal Charge:-1
Complexity:742
Isotope Atom Count:0
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

 

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