ChemSpider 2D Image | Saccharocin | C21H40N4O12

Saccharocin

  • Molecular FormulaC21H40N4O12
  • Average mass540.562 Da
  • Monoisotopic mass540.264282 Da
  • ChemSpider ID30791520

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(2R,3S,4R,4aR,6S,7R,8aS)-7-Amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl α-D-glucopyranoside [ACD/IUPAC Name]
(2R,3S,4R,4aR,6S,7R,8aS)-7-Amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
Saccharocin
α-D-Glucopyranoside de (2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(méthylamino)octahydropyrano[3,2-b]pyran-2-yle [French] [ACD/IUPAC Name]
4''-Deamino-4''-hydroxyapramycin
86630-31-1 [RN]
KA-5685

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

Density: 1.6±0.1 g/cm3
Boiling Point: 824.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.3±6.0 kJ/mol
Flash Point: 452.3±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 124.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 14
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -4.66
ACD/LogD (pH 5.5): -10.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 278 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 95.4±5.0 dyne/cm
Molar Volume: 338.2±5.0 cm3

Click to predict properties on the Chemicalize site


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