ChemSpider 2D Image | (1R,2R,3S,4R,6S)-4,6-Diamino-2-[(5-amino-5-deoxy-beta-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside | C17H34N4O10

(1R,2R,3S,4R,6S)-4,6-Diamino-2-[(5-amino-5-deoxy-β-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy-α-D-glucopyranoside

  • Molecular FormulaC17H34N4O10
  • Average mass454.473 Da
  • Monoisotopic mass454.227478 Da
  • ChemSpider ID24697045

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1R,2R,3S,4R,6S)-4,6-Diamino-2-[(5-amino-5-deoxy-β-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2R,3S,4R,6S)-4,6-Diamino-2-[(5-amino-5-desoxy-β-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl-2-amino-2-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Amino-2-désoxy-α-D-glucopyranoside de (1R,2R,3S,4R,6S)-4,6-diamino-2-[(5-amino-5-désoxy-β-D-ribofuranosyl)oxy]-3-hydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1R,2R,3S,4R,6S)-4,6-diamino-2-[(5-amino-5-deoxy-β-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL474967/
N30

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

Density: 1.6±0.1 g/cm3
Boiling Point: 769.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 127.8±6.0 kJ/mol
Flash Point: 419.4±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 14
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.98
ACD/LogD (pH 5.5): -9.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 262 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 99.8±5.0 dyne/cm
Molar Volume: 283.6±5.0 cm3

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