ChemSpider 2D Image | (1R,2R,3S,4R,6S)-4,6-Diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-3,4-O-methylene-alpha-D-glucopyranoside | C13H26N4O6

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

  • Molecular FormulaC13H26N4O6
  • Average mass334.369 Da
  • Monoisotopic mass334.185242 Da
  • ChemSpider ID24705820

  • 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 2,6-diamino-2,6-dideoxy-3,4-O-methylene-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2R,3S,4R,6S)-4,6-Diamino-2,3-dihydroxycyclohexyl-2,6-diamino-2,6-didesoxy-3,4-O-methylen-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2,6-Diamino-2,6-didésoxy-3,4-O-méthylène-α-D-glucopyranoside de (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-3,4-O-methylene- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL496109/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 543.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 282.3±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 80.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 10
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -7.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 78.4±5.0 dyne/cm
Molar Volume: 227.3±5.0 cm3

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