ChemSpider 2D Image | Hygromycin B | C20H37N3O13

Hygromycin B

  • Molecular FormulaC20H37N3O13
  • Average mass527.520 Da
  • Monoisotopic mass527.232666 Da
  • ChemSpider ID28634700

  • defined stereocentres - 15 of 16 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-{[(1R,2S,3R,5S,6R)-3-Amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyra n-2,2'-pyran]-3',4',5',7-tetrol [ACD/IUPAC Name]
250-545-5 [EINECS]
Hygromycin B
(3aS,3'R,4S,4'S,5'R,6R,6'R,7S,7aS)-4-(((1R,2S,3R,5S,6R)-3-Amino-2,6-dihydroxy-5-(methylamino)cyclohexyl)oxy)-6'-((S)-1-amino-2-hydroxyethyl)-6-(hydroxymethyl)octahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetraol
(3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)-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
Hygrovetine
MFCD06795479
O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1?2-3)-O-?-D-talopyranosyl-(1?5)-2-deoxy-N3-methyl-D-streptamine

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3XQ2233B0B [DBID]
UNII:3XQ2233B0B [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Antibacterial MedChem Express HY-B0490
      Antibacterial Antifungal MedChem Express HY-B0490
      Anti-infection MedChem Express HY-B0490
      Anti-infection; MedChem Express HY-B0490
      Hygromycin B, a selective antibiotic that is effective on most bacteria, fungi and higher eukaryotes.; Target: Antifungal; Antibacterial; Hygromycin B is an antibiotic produced by the bacterium Streptomyces hygroscopicus. MedChem Express HY-B0490
      Hygromycin B, a selective antibiotic that is effective on most bacteria, fungi and higher eukaryotes.;Target: Antifungal; AntibacterialHygromycin B is an antibiotic produced by the bacterium Streptomyces hygroscopicus. It is an aminoglycoside that kills bacteria, fungi and higher eukaryotic cells by inhibiting protein synthesis. Hygromycin B has a single binding site within the 30S, it locates in the major groove of the helix very close to the helical axis, and makes contact with nucleotides from both RNA strands in the region 1490-1500 and 1400-1410. Ring I of HygB is involved in nonsequence-specific interactions with the backbone phosphate oxygen atoms of G1494 in addition to base-specific interactions with G1494 and U1495. Rings II and III make weak base-specific hydrogen bonds to both C1404 and U1498, but their main role apparently is to position ring IV for interaction with bases in the 1496-1498 region. Ring IV of HygB comes within 4A of the second base of the P site bound mR MedChem Express HY-B0490

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 897.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.2±6.0 kJ/mol
Flash Point: 496.7±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 118.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 13
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -5.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 272 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 103.3±5.0 dyne/cm
Molar Volume: 315.1±5.0 cm3

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