ChemSpider 2D Image | (1R,2R,3S,5R,6S)-3,5-Diamino-2-({(5R)-2-amino-2-deoxy-5-[(1R)-1-hydroxyethyl]-alpha-D-xylopyranosyl}oxy)-6-hydroxycyclohexyl 5-amino-5,6-dideoxy-beta-D-allofuranoside | C19H38N4O10

(1R,2R,3S,5R,6S)-3,5-Diamino-2-({(5R)-2-amino-2-deoxy-5-[(1R)-1-hydroxyethyl]-α-D-xylopyranosyl}oxy)-6-hydroxycyclohexyl 5-amino-5,6-dideoxy-β-D-allofuranoside

  • Molecular FormulaC19H38N4O10
  • Average mass482.526 Da
  • Monoisotopic mass482.258789 Da
  • ChemSpider ID28651916

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(1R,2R,3S,5R,6S)-3,5-Diamino-2-({(5R)-2-amino-2-deoxy-5-[(1R)-1-hydroxyethyl]-α-D-xylopyranosyl}oxy)-6-hydroxycyclohexyl 5-amino-5,6-dideoxy-β-D-allofuranoside [ACD/IUPAC Name]
(1R,2R,3S,5R,6S)-3,5-Diamino-2-({(5R)-2-amino-2-desoxy-5-[(1R)-1-hydroxyethyl]-α-D-xylopyranosyl}oxy)-6-hydroxycyclohexyl-5-amino-5,6-didesoxy-β-D-allofuranosid [German] [ACD/IUPAC Name]
5-Amino-5,6-didésoxy-β-D-allofuranoside de (1R,2R,3S,5R,6S)-3,5-diamino-2-({(5R)-2-amino-2-désoxy-5-[(1R)-1-hydroxyéthyl]-α-D-xylopyranosyl}oxy)-6-hydroxycyclohexyle [French] [ACD/IUPAC Name]
D-glycero-α-D-gluco-Heptopyranoside, (1R,2R,3S,4R,6S)-4,6-diamino-2-[(5-amino-5,6-dideoxy-β-D-allofuranosyl)oxy]-3-hydroxycyclohexyl 2-amino-2,7-dideoxy- [ACD/Index Name]
(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-5-[(1R)-1-aminoethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol
1375073-95-2 [RN]
ELX-02

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

Density: 1.5±0.1 g/cm3
Boiling Point: 761.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.5±6.0 kJ/mol
Flash Point: 414.2±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 114.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 14
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.28
ACD/LogD (pH 5.5): -9.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 262 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 88.5±5.0 dyne/cm
Molar Volume: 317.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement