ChemSpider 2D Image | 4,6-Diamino-3-{[2-amino-5-(aminomethyl)-4-hydroxycyclohexyl]methyl}-2-hydroxycyclohexyl 3-amino-3-deoxyhexopyranoside | C20H41N5O7

4,6-Diamino-3-{[2-amino-5-(aminomethyl)-4-hydroxycyclohexyl]methyl}-2-hydroxycyclohexyl 3-amino-3-deoxyhexopyranoside

  • Molecular FormulaC20H41N5O7
  • Average mass463.569 Da
  • Monoisotopic mass463.300598 Da
  • ChemSpider ID21112545

More details:

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

3-Amino-3-désoxyhexopyranoside de 4,6-diamino-3-{[2-amino-5-(aminométhyl)-4-hydroxycyclohexyl]méthyl}-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
4,6-Diamino-3-{[2-amino-5-(aminomethyl)-4-hydroxycyclohexyl]methyl}-2-hydroxycyclohexyl 3-amino-3-deoxyhexopyranoside [ACD/IUPAC Name]
4,6-Diamino-3-{[2-amino-5-(aminomethyl)-4-hydroxycyclohexyl]methyl}-2-hydroxycyclohexyl-3-amino-3-desoxyhexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside, 4,6-diamino-3-[[2-amino-5-(aminomethyl)-4-hydroxycyclohexyl]methyl]-2-hydroxycyclohexyl 3-amino-3-deoxy- [ACD/Index Name]
MFCD00077885 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 741.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.5±6.0 kJ/mol
Flash Point: 402.3±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 117.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 15
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.24
ACD/LogD (pH 5.5): -11.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 250 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 84.4±5.0 dyne/cm
Molar Volume: 326.2±5.0 cm3

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