ChemSpider 2D Image | (1S,3R,4S,6R)-4,6-Diamino-3-{[(1S)-3-amino-3-deoxyhexopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxyhexopyranoside | C18H37N5O8

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

  • Molecular FormulaC18H37N5O8
  • Average mass451.515 Da
  • Monoisotopic mass451.264221 Da
  • ChemSpider ID26382163

  • defined stereocentres - 5 of 13 defined stereocentres

More details:

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

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 727.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.3±6.0 kJ/mol
Flash Point: 393.9±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 110.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 14
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.23
ACD/LogD (pH 5.5): -10.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 248 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 84.6±5.0 dyne/cm
Molar Volume: 308.1±5.0 cm3

Click to predict properties on the Chemicalize site


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