Found 1 result

Search term: XTETYRKURMWZIA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-{(1S,2R,3R,4S,5R,6R)-2-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-5-[(diaminomethyl)amino]-3,4,6-trihydroxycyclohexyl}guanidine | C21H41N7O12

2-{(1S,2R,3R,4S,5R,6R)-2-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-formyl-α-L-lyxofuranosyl}oxy)-5-[(diaminomethyl)amino]-3,4,6-trihydroxycyclohexyl}guanidine

  • Molecular FormulaC21H41N7O12
  • Average mass583.590 Da
  • Monoisotopic mass583.281311 Da
  • ChemSpider ID2301058

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-{(1S,2R,3R,4S,5R,6R)-2-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-formyl-α-L-lyxofuranosyl}oxy)-5-[(diaminomethyl)amino]-3,4,6-trihydroxycyclohexyl}guanidine [ACD/IUPAC Name]
2-{(1S,2R,3R,4S,5R,6R)-2-({5-Desoxy-2-O-[2-desoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-formyl-α-L-lyxofuranosyl}oxy)-5-[(diaminomethyl)amino]-3,4,6-trihydroxycyclohexyl}guanidin [German] [ACD/IUPAC Name]
2-{(1S,2R,3R,4S,5R,6R)-2-({5-Désoxy-2-O-[2-désoxy-2-(méthylamino)-α-L-glucopyranosyl]-3-C-formyl-α-L-lyxofuranosyl}oxy)-5-[(diaminométhyl)amino]-3,4,6-trihydroxycyclohexyl}guanidine [French] [ACD/IUPAC Name]
Guanidine, N''-[(1S,2R,3R,4S,5R,6R)-2-[[5-deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-formyl-α-L-lyxofuranosyl]oxy]-5-[(diaminomethyl)amino]-3,4,6-trihydroxycyclohexyl]- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 903.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.1±6.0 kJ/mol
Flash Point: 500.1±37.1 °C
Index of Refraction: 1.762
Molar Refractivity: 121.0±0.5 cm3
#H bond acceptors: 19
#H bond donors: 17
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -7.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 336 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 92.7±7.0 dyne/cm
Molar Volume: 293.5±7.0 cm3

Click to predict properties on the Chemicalize site


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