ChemSpider 2D Image | (1R,2R,3R,4R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside | C15H28N2O11S

(1R,2R,3R,4R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-α-D-glucopyranoside

  • Molecular FormulaC15H28N2O11S
  • Average mass444.455 Da
  • Monoisotopic mass444.141388 Da
  • ChemSpider ID26354091

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,2R,3R,4R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2R,3R,4R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl-2-(L-cysteinylamino)-2-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2-(L-Cystéinylamino)-2-désoxy-α-D-glucopyranoside de (1R,2R,3R,4R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1β,2α,3α,4α,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl 2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-2-deoxy- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 766.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.2±6.0 kJ/mol
Flash Point: 417.1±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 98.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 11
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: -1.38
ACD/LogD (pH 5.5): -2.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.29
Polar Surface Area: 274 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 110.2±5.0 dyne/cm
Molar Volume: 259.4±5.0 cm3

Click to predict properties on the Chemicalize site


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