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Chemical Product CAS:65710-07-8Apramycin sulfate

CAS:65710-07-8
Apramycin sulfate

  • CAS No:

    65710-07-8
  • Name:

    Apramycin sulfate
  • Molecular Formula:

    C21H41N5O11.H2SO4
  • Molecular Weight:

    637.66
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Apramycin sulfate ( CASNO:65710-07-8 )

Identification and Related Records
Name:
Apramycin sulfate
CAS Registry number:
65710-07-8
Synonyms:
D-Streptamine, O-4-amino-4-deoxy-alpha-D-glucopyranosyl-(1-8)-O-(8R)-2-amino-2,3,7-trideoxy-7-(methylamino)-D-glycero-alpha-D-allo-octadialdo-1,5:8,4-dipyranosyl-(1-4)-2-deoxy-, sulfate (salt)
Apramicina [INN-Spanish]
Apramycinum [INN-Latin]
Apramycin, sulfate (2:5)
Apramycin [USAN:BAN:INN]
EL-857/820
D-Streptamine, O-4-amino-4-deoxy-alpha-D-glucopyranosyl-(1-8)-O-(8R)-2-amino-2,3,7-trideoxy-7-(methylamino)-D-glycero-alpha-D-allo-octadialdo-1,5:8,4-dipyranosyl-(1-4)-2-deoxy-
(2R,3R,4S,5R,6S)-5-amino-2-[[(1S,2R,3S,4R,6S,8R)-8-amino-9-[(1R,2S,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexyl]oxy-2-hydroxy-3-methylamino-5,10-dioxabicyclo[4.4.0]dec-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4-diol
EINECS(EC#):
265-890-7
Molecular Formula:
C21H41N5O11.H2SO4
Molecular Weight:
637.66
Inchi:
InChI=1/C21H41N5O11.H2O4S/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31;1-5(2,3)4/h5-21,26-32H,2-4,22-25H2,1H3;(H2,1,2,3,4)/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14+,15+,16+,17+,18+,19-,20+,21+;/m1./s1
Canonical SMILES:
CNC1C(C2C(CC(C(O2)OC3C(CC(C(C3O)O)N)N)N)OC1OC4C(C(C(C(O4)CO)N)O)O)O
Isomers smiles:
CN[C@H]1[C@H]([C@@H]2[C@H](C[C@H](C(O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]
3O)O)N)N)N)O[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O
Chemical and Physical Properties
Appearance:
powder
Melting Point:
>168°C (dec.)
Boiling Point:
949.8°C at 760 mmHg
Flash Point:
528.2°C
HS Code:
29419000
Storage temp:
2-8°C
Computed Properties:
Molecular Weight:539.57714 [g/mol]
Molecular Formula:C21H41N5O11
XLogP3-AA:-7
H-Bond Donor:11
H-Bond Acceptor:16
Rotatable Bond Count:6
Exact Mass:539.280257
MonoIsotopic Mass:539.280257
Topological Polar Surface Area:284
Heavy Atom Count:37
Formal Charge:0
Complexity:760
Isotope Atom Count:0
Defined Atom Stereocenter Count:16
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:11
Feature 3D Donor Count:11
Feature 3D Cation Count:5
Feature 3D Ring Count:4
Effective Rotor Count:10
Conformer Sampling RMSD:1
CID Conformer Count:78
Safety and Handling
Hazard Codes:
T: Toxic;
Risk Statements:
R61;R35
Safety Statements:
S53;S26;S36/37/39;S45
Use and Manufacturing
Usage:
Broad spectrum aminocyclitol antibiotic and component of the Nebramycin complex, produced by a strain of Streptomyces tenebrarius. Antibacterial.
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