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

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

  • Molecular FormulaC12H26N4O6
  • Average mass322.358 Da
  • Monoisotopic mass322.185242 Da
  • ChemSpider ID25037598

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,2R,3S,4R,6S)-4,6-Diamino-2,3-dihydroxycyclohexyl 2,3-diamino-2,3-dideoxy-α-D-allopyranoside [ACD/IUPAC Name]
(1R,2R,3S,4R,6S)-4,6-Diamino-2,3-dihydroxycyclohexyl-2,3-diamino-2,3-didesoxy-α-D-allopyranosid [German] [ACD/IUPAC Name]
2,3-Diamino-2,3-didésoxy-α-D-allopyranoside de (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Allopyranoside, (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,3-diamino-2,3-dideoxy- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 583.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.1±6.0 kJ/mol
Flash Point: 306.8±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: -2.73
ACD/LogD (pH 5.5): -8.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.99
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

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