ChemSpider 2D Image | (1R,3S)-4,6-Diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-erythro-hexopyranoside | C12H26N4O6

(1R,3S)-4,6-Diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-erythro-hexopyranoside

  • Molecular FormulaC12H26N4O6
  • Average mass322.358 Da
  • Monoisotopic mass322.185242 Da
  • ChemSpider ID21374289

  • defined stereocentres - 5 of 10 defined stereocentres

More details:

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

(1R,3S)-4,6-Diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-erythro-hexopyranoside [ACD/IUPAC Name]
(1R,3S)-4,6-Diamino-2,3-dihydroxycyclohexyl-2,6-diamino-2,6-didesoxy-α-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
2,6-Diamino-2,6-didésoxy-α-D-érythro-hexopyranoside de (1R,3S)-4,6-diamino-2,3-dihydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-erythro-Hexopyranoside, (1R,3S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy- [ACD/Index Name]
(1'R,3'S,3S,5R,6R)-5-AMINO-2-AMINOMETHYL-6-(4,6-DIAMINO-2,3-DIHYDROXY-CYCLOHEXYLOXY)-TETRAHYDRO-PYRAN-3,4-DIOL
(3S,5R,6R)-5-Amino-2-(aminomethyl)-6-(((1R,3S)-4,6-diamino-2,3-dihydroxycyclohexyl)oxy)tetrahydro-2H-pyran-3,4-diol
3947-65-7 [RN]
MFCD00023857
Neamine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 577.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.3±6.0 kJ/mol
Flash Point: 303.3±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 77.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 12
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -2.78
ACD/LogD (pH 5.5): -9.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 92.6±5.0 dyne/cm
Molar Volume: 212.4±5.0 cm3

Click to predict properties on the Chemicalize site


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