ChemSpider 2D Image | 2,3,4,5,6-Pentahydroxycyclohexyl 2-[(N-acetyl-D-cysteinyl)amino]-2-deoxyhexopyranoside | C17H30N2O12S

2,3,4,5,6-Pentahydroxycyclohexyl 2-[(N-acetyl-D-cysteinyl)amino]-2-deoxyhexopyranoside

  • Molecular FormulaC17H30N2O12S
  • Average mass486.491 Da
  • Monoisotopic mass486.151947 Da
  • ChemSpider ID23172276

  • defined stereocentres - 1 of 12 defined stereocentres

More details:

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

2,3,4,5,6-Pentahydroxycyclohexyl 2-[(N-acetyl-D-cysteinyl)amino]-2-deoxyhexopyranoside [ACD/IUPAC Name]
2,3,4,5,6-Pentahydroxycyclohexyl-2-[(N-acetyl-D-cysteinyl)amino]-2-desoxyhexopyranosid [German] [ACD/IUPAC Name]
2-[(N-Acétyl-D-cystéinyl)amino]-2-désoxyhexopyranoside de 2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
Hexopyranoside, 2,3,4,5,6-pentahydroxycyclohexyl 2-[[(2S)-2-(acetylamino)-3-mercapto-1-oxopropyl]amino]-2-deoxy- [ACD/Index Name]
(S)-2-Acetylamino-N-[4,5-dihydroxy-6-hydroxymethyl-2-(2,3,4,5,6-pentahydroxy-cyclohexyloxy)-tetrahydro-pyran-3-yl]-3-mercapto-propionamide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 862.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.4±6.0 kJ/mol
Flash Point: 475.2±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 107.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): -2.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 277 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 99.8±5.0 dyne/cm
Molar Volume: 292.4±5.0 cm3

Click to predict properties on the Chemicalize site


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