ChemSpider 2D Image | bluensomycin | C21H39N5O14

bluensomycin

  • Molecular FormulaC21H39N5O14
  • Average mass585.560 Da
  • Monoisotopic mass585.249329 Da
  • ChemSpider ID16736543

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1R,2S,3S,4R,5R,6R)-3-Carbamimidamido-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexyl carbamate [ACD/IUPAC Name]
(1R,2S,3S,4R,5R,6R)-3-Carbamimidamido-4-({5-desoxy-2-O-[2-desoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexylcarbamat [German] [ACD/IUPAC Name]
11011-72-6 [RN]
Bluensin
bluensomicina [Spanish] [INN]
bluensomycin [INN]
bluensomycine [French] [INN]
bluensomycinum [Latin] [INN]
Carbamate de (1R,2S,3S,4R,5R,6R)-3-carbamimidamido-4-({5-désoxy-2-O-[2-désoxy-2-(méthylamino)-α-L-glucopyranosyl]-3-C-(hydroxyméthyl)-α-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexyle [French] [ACD/IUPAC Name]
Guanidine, N-[(1S,2S,3R,4R,5R,6R)-3-[(aminocarbonyl)oxy]-6-[[5-deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-lyxofuranosyl]oxy]-2,4,5-trihydroxycyclohexyl]- [ACD/Index Name]
More...

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

1616 [DBID]
U 12898 [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 913.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.8±6.0 kJ/mol
Flash Point: 506.5±37.1 °C
Index of Refraction: 1.732
Molar Refractivity: 118.3±0.5 cm3
#H bond acceptors: 19
#H bond donors: 15
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.57
ACD/LogD (pH 5.5): -7.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 325 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 89.0±7.0 dyne/cm
Molar Volume: 295.8±7.0 cm3

Click to predict properties on the Chemicalize site


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