ChemSpider 2D Image | (3R,4S)-4,6-Diamino-3-{[(1S)-3-amino-3-deoxyhexopyranosyl]oxy}-2-hydroxycyclohexyl (1S)-2,6-diamino-2,6-dideoxyhexopyranoside | C18H37N5O10

(3R,4S)-4,6-Diamino-3-{[(1S)-3-amino-3-deoxyhexopyranosyl]oxy}-2-hydroxycyclohexyl (1S)-2,6-diamino-2,6-dideoxyhexopyranoside

  • Molecular FormulaC18H37N5O10
  • Average mass483.514 Da
  • Monoisotopic mass483.254028 Da
  • ChemSpider ID26359518

  • defined stereocentres - 4 of 15 defined stereocentres

More details:

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

(1S)-2,6-Diamino-2,6-didésoxyhexopyranoside de (3R,4S)-4,6-diamino-3-{[(1S)-3-amino-3-désoxyhexopyranosyl]oxy}-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
(3R,4S)-4,6-Diamino-3-{[(1S)-3-amino-3-deoxyhexopyranosyl]oxy}-2-hydroxycyclohexyl (1S)-2,6-diamino-2,6-dideoxyhexopyranoside [ACD/IUPAC Name]
(3R,4S)-4,6-Diamino-3-{[(1S)-3-amino-3-desoxyhexopyranosyl]oxy}-2-hydroxycyclohexyl-(1S)-2,6-diamino-2,6-didesoxyhexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside, (3R,4S)-4,6-diamino-3-[[(1S)-3-amino-3-deoxyhexopyranosyl]oxy]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-, (1S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 807.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.7±6.0 kJ/mol
Flash Point: 442.3±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 16
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.93
ACD/LogD (pH 5.5): -10.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 101.5±5.0 dyne/cm
Molar Volume: 303.8±5.0 cm3

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