ChemSpider 2D Image | (1S,2S,3R,4S,6R)-4,6-Diamino-3-{[(2R,3S)-3-amino-6-(1-aminoethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside | C20H39N5O7

(1S,2S,3R,4S,6R)-4,6-Diamino-3-{[(2R,3S)-3-amino-6-(1-aminoethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranoside

  • Molecular FormulaC20H39N5O7
  • Average mass461.553 Da
  • Monoisotopic mass461.284943 Da
  • ChemSpider ID26355372

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(1S,2S,3R,4S,6R)-4,6-Diamino-3-{[(2R,3S)-3-amino-6-(1-aminoethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranoside [ACD/IUPAC Name]
(1S,2S,3R,4S,6R)-4,6-Diamino-3-{[(2R,3S)-3-amino-6-(1-aminoethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl-3-desoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosid [German] [ACD/IUPAC Name]
3-Désoxy-4-C-méthyl-3-(méthylamino)-β-L-arabinopyranoside de (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3S)-3-amino-6-(1-aminoéthyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
β-L-Arabinopyranoside, (1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2R,3S)-3-amino-6-(1-aminoethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)- [ACD/Index Name]
49863-48-1 [RN]
Verdamicin [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 677.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±6.0 kJ/mol
Flash Point: 363.4±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 117.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 12
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.32
ACD/LogD (pH 5.5): -9.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 339.4±5.0 cm3

Click to predict properties on the Chemicalize site


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