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(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 sulfate hydrate (1:1:1) | CAS No. 64058-48-6

(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 sulfate hydrate (1:1:1)

Basic Information

Chemical_Structure_Of
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CAS Number

64058-48-6

Molecular Formula

C14H28N2O12S

Molecular Weight

502.49 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ketones
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Surfactants Anionic Surfactants
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

~185° (dec)

Specific Rotation

D25 +17.0° (c = 1 in water)

SMILES

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

InChI

InChI=1S/C14H24N2O7.H2O4S.H2O/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;1-5(2,3)4;/h5,7-13,15-16,18-20H,4H2,1-3H3;(H2,1,2,3,4);1H2/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;/m1../s1

InChIKey

XPEBEPHQVRGNCX-XYQGXRRISA-N

LogP

-6.8771999999999895

pKa

pKa1 7.00, pKa2 8.75(at 25℃)

Topological Polar Surface Area

330.11 Ų

Hydrogen Bond Donor/Acceptor

15 / 17

Complexity

559

Synonyms & References

English

  • Spectinomycin sulfate tetrahydrate
  • Adspec Sterile Solution
  • YS91P54918
  • (2R-(2alpha,4Abeta,5Abeta,6beta,7beta,8beta,9alpha,9Aalpha,10Abeta))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULPHATE TETRAHYDRATE
  • SPECTINOMYCIN SULPHATE TETRAHYDRATE
  • 64058-48-6
  • U-18409E
  • Actinospectacin, tetrahydrate, sulfate
  • ESPECTINOMICINA SULFATE TETRAHYDRATE
  • Spectinomycin, tetrahydrate, sulfate
  • UNII-YS91P54918
  • Trobicin sulfate
  • DTXSID00982498
  • ACTINOSPECTACIN SULPHATE TETRAHYDRATE
  • Sulfuric acid--4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one--water (1/1/4)
  • 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)-, SULFATE, HYDRATE, (1:1:4)
  • (2R-(2.ALPHA.,4A.BETA.,5A.BETA.,6.BETA.,7.BETA.,8.BETA.,9.ALPHA.,9A.ALPHA.,10A.BETA.))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULFATE TETRAHYDRATE
  • ACTINOSPECTACIN SULFATE TETRAHYDRATE
  • ESPECTINOMICINA SULPHATE TETRAHYDRATE
  • (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0,tetradecan-7-one sulfuric acid tetrahydrate
  • U 18409E
  • (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-benzo[b]pyrano[2,3-e][1,4]dioxin-4-one sulfate tetrahydrate
  • Spectinomycin, sulfate, tetrahydrate
  • 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)-, SULPHATE, HYDRATE, (1:1:4)
  • SPECTINOMYCIN SULFATE TETRAHYDRATE [MI]
  • Q27294692
  • (2R-(2alpha,4Abeta,5Abeta,6beta,7beta,8beta,9alpha,9Aalpha,10Abeta))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULFATE TETRAHYDRATE
  • (2R-(2.ALPHA.,4A.BETA.,5A.BETA.,6.BETA.,7.BETA.,8.BETA.,9.ALPHA.,9A.ALPHA.,10A.BETA.))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULPHATE TETRAHYDRATE
  • SPECTINOMYCIN SULFATE TETRAHYDRATE [GREEN BOOK]
  • Actinospectacin,tetrahydrate,sulfate
  • FDA

MDL Number

MFCD01750132

FAQ

What is (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 sulfate hydrate (CAS: 64058-48-6)?
This compound, (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 sulfate hydrate (CAS: 64058-48-6), is a complex organic molecule with potential applications in pharmaceuticals and research. It exhibits unique structural properties making it suitable for various chemical and biological studies.

What are the main uses of (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 sulfate hydrate (CAS: 64058-48-6)?
The compound is primarily used in pharmaceutical research for its potential to modulate various biological pathways. It may also be used in synthetic organic chemistry for the development of new drug candidates and in analytical chemistry for its unique spectroscopic and chromatographic properties.

Is (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 sulfate hydrate (CAS: 64058-48-6) safe?
The compound is generally considered safe when handled with appropriate precautions. However, it should be used in a well-ventilated environment, and direct contact with skin and eyes should be avoided. Protective gloves and goggles are recommended. Storage away from heat and direct sunlight is advised to maintain its stability.

How should (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 sulfate hydrate (CAS: 64058-48-6) be stored?
This compound should be stored in a cool, dry place away from heat and direct sunlight. It is recommended to keep it in a tightly sealed container to avoid degradation. Optimal storage conditions are temperatures below 25°C and a relative humidity below 60%. Proper labeling and documentation of storage conditions are essential for safe handling.

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Supplier Information

(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 sulfate hydrate (1:1:1) — Shanghai Analytical Rocky Experimental Technology Co., Ltd.

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(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 sulfate hydrate (1:1:1) — Shanghai Jixiang Biotechnology Co., Ltd.

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(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 sulfate hydrate (1:1:1) — ShenZhenAiTaHuaXue Co Ltd

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(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 sulfate hydrate (1:1:1) — ShangHaiMaiRuiErShengHua Technology Co Ltd

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