ChemSpider 2D Image | (1S,2R,3S,4S,6S)-4,6-Diamino-3-[(6-amino-6-deoxy-alpha-D-talopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-allopyranoside | C18H36N4O11

(1S,2R,3S,4S,6S)-4,6-Diamino-3-[(6-amino-6-deoxy-α-D-talopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-α-D-allopyranoside

  • Molecular FormulaC18H36N4O11
  • Average mass484.499 Da
  • Monoisotopic mass484.238068 Da
  • ChemSpider ID59700614

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1S,2R,3S,4S,6S)-4,6-Diamino-3-[(6-amino-6-deoxy-α-D-talopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-α-D-allopyranoside [ACD/IUPAC Name]
(1S,2R,3S,4S,6S)-4,6-Diamino-3-[(6-amino-6-desoxy-α-D-talopyranosyl)oxy]-2-hydroxycyclohexyl-3-amino-3-desoxy-α-D-allopyranosid [German] [ACD/IUPAC Name]
3-Amino-3-désoxy-α-D-allopyranoside de (1S,2R,3S,4S,6S)-4,6-diamino-3-[(6-amino-6-désoxy-α-D-talopyranosyl)oxy]-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Allopyranoside, (1S,2R,3S,4S,6S)-4,6-diamino-3-[(6-amino-6-deoxy-α-D-talopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy- [ACD/Index Name]
STK249708

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

Density: 1.6±0.1 g/cm3
Boiling Point: 809.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 134.0±6.0 kJ/mol
Flash Point: 443.4±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 111.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 15
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.58
ACD/LogD (pH 5.5): -9.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 104.5±5.0 dyne/cm
Molar Volume: 297.6±5.0 cm3

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