4H-Pyrano[2,3-b][1,4]benzodioxin-4-one,decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-,(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)- | CAS No. 1695-77-8

4H-Pyrano[2,3-b][1,4]benzodioxin-4-one,decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-,(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-

Basic Information

CAS Number

1695-77-8

Molecular Formula

C14H24N2O7

Molecular Weight

332.35 g/mol

AD

Basic Physical Properties

Melting Point

185ºC

Boiling Point

583.1ºC at 760 mmHg

Density

1.43 g/cm3

Flash Point

583.1 °C at 760 mmHg

Specific Rotation

D25 -20° (water)

CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O

InChI

InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1

InChIKey

UNFWWIHTNXNPBV-WXKVUWSESA-N

LogP

-2.3

pKa

pKa1 6.95, pKa2 8.70(at 25℃)

Topological Polar Surface Area

129.51000000000002 Ų

Hydrogen Bond Donor/Acceptor

5 / 9

Complexity

478

Synonyms & References

English

  • CCG-208273
  • SCM
  • 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-
  • SMP1_000276
  • 93AKI1U6QF
  • 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-
  • Spectrum5_001407
  • SPECTINOMYCIN [GREEN BOOK]
  • Spectinomycinum [INN-Latin]
  • BRN 2171701
  • CS-0013897
  • Actinospectacin; Antibiotic 2233wp; Espectinomicina;Togamycin; Trobicin
  • SR-05000001868-4
  • DivK1c_000137
  • actinospectacin
  • Spectam
  • (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one
  • U-18409E
  • DTXSID9023592
  • U-18409
  • (2r,4ar,5ar,6s,7s,8r,9s,9ar,10as)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)octahydro-2h-benzo[b]pyrano[2,3-e][1,4]dioxin-4(3h)-one
  • M 141
  • C02078
  • Adspec (TN)
  • ETHYL2-ANILINO-4-CHLORO-5-FORMYL-3-THIOPHENECARBOXYLATE
  • KBio2_006570
  • NCGC00017354-03
  • AKOS015961272
  • CHX-3101
  • Spectinomycin (INN)
  • Adspec

MDL Number

MFCD00058104

Customs Code

3003209000

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