ChemSpider 2D Image | (6S)-5-Amino-6-[(1S,2S)-1-amino-2-hydroxypropyl]-3,5-dideoxy-beta-D-erythro-hex-2-ulopyranosonic acid | C9H18N2O6

(6S)-5-Amino-6-[(1S,2S)-1-amino-2-hydroxypropyl]-3,5-dideoxy-β-D-erythro-hex-2-ulopyranosonic acid

  • Molecular FormulaC9H18N2O6
  • Average mass250.249 Da
  • Monoisotopic mass250.116486 Da
  • ChemSpider ID61715156
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(6S)-5-Amino-6-[(1S,2S)-1-amino-2-hydroxypropyl]-3,5-dideoxy-β-D-erythro-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(6S)-5-Amino-6-[(1S,2S)-1-amino-2-hydroxypropyl]-3,5-didesoxy-β-D-erythro-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (6S)-5-amino-6-[(1S,2S)-1-amino-2-hydroxypropyl]-3,5-didésoxy-β-D-érythro-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
L-glycero-α-L-manno-2-Nonulopyranosonic acid, 5,7-diamino-3,5,7,9-tetradeoxy- [ACD/Index Name]
5,7-Diamino-2,6-Anhydro-3,5,7,9-Tetradeoxy-L-Erythro-L-Galacto-Nononic Acid
6PZ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 582.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 305.8±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 56.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.04
ACD/LogD (pH 5.5): -6.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 87.7±3.0 dyne/cm
Molar Volume: 163.4±3.0 cm3

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