ChemSpider 2D Image | (1R,4S,5R,6S,8R,9Z,14R,15S,17R,18R,19S,20R,22S,23E,28S)-6,14,20,28-Tetraamino-19-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-4,18-dihydroxy-2,16,29,30-tetraoxa-9,23-diazapentacyc lo[23.3.1.1~11,15~.0~3,8~.0~17,22~]triaconta-9,11,23,25-tetraen-5-yl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside | C38H64N8O14

(1R,4S,5R,6S,8R,9Z,14R,15S,17R,18R,19S,20R,22S,23E,28S)-6,14,20,28-Tetraamino-19-{[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl]oxy}-4,18-dihydroxy-2,16,29,30-tetraoxa-9,23-diazapentacyc lo[23.3.1.111,15.03,8.017,22]triaconta-9,11,23,25-tetraen-5-yl 3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranoside

  • Molecular FormulaC38H64N8O14
  • Average mass856.960 Da
  • Monoisotopic mass856.454224 Da
  • ChemSpider ID78443445

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 21 of 22 defined stereocentres

More details:

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

(1R,4S,5R,6S,8R,9Z,14R,15S,17R,18R,19S,20R,22S,23E,28S)-6,14,20,28-Tetraamino-19-{[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl]oxy}-4,18-dihydroxy-2,16,29,30-tetraoxa-9,23-diazapentacyc lo[23.3.1.111,15.03,8.017,22]triaconta-9,11,23,25-tetraen-5-yl 3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranoside [ACD/IUPAC Name]
(1R,4S,5R,6S,8R,9Z,14R,15S,17R,18R,19S,20R,22S,23E,28S)-6,14,20,28-Tetraamino-19-{[3-desoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl]oxy}-4,18-dihydroxy-2,16,29,30-tetraoxa-9,23-diazapentacy clo[23.3.1.111,15.03,8.017,22]triaconta-9,11,23,25-tetraen-5-yl-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 (1R,4S,5R,6S,8R,9Z,14R,15S,17R,18R,19S,20R,22S,23E,28S)-6,14,20,28-tétraamino-19-{[3-désoxy-4-C-méthyl-3-(méthylamino)-β-L-arabinopyr anosyl]oxy}-4,18-dihydroxy-2,16,29,30-tétraoxa-9,23-diazapentacyclo[23.3.1.111,15.03,8.017,22]triaconta-9,11,23,25-tétraén-5-yle [French] [ACD/IUPAC Name]
β-L-Arabinopyranoside, (2S,3R,4S,6R,7S,11E,12aS,14R,15S,16R,16aR,18S,19R,23Z,24aR)-2,7,14,19-tetraamino-15-[[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl]oxy]-2,3,4,4a,7,8,12a,13,14,1 5,16,16a,18,19,20,24a-hexadecahydro-4,16-dihydroxy-6,10:18,22-diepoxy-1H,6H-dibenzo[b,l][1,11,4,14]dioxadiazacycloeicosin-3-yl 3-deoxy-4-C-methyl-3-(methylamino)- [ACD/Index Name]
Aminoglycoside 66-40-C

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1109.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 184.4±6.0 kJ/mol
Flash Point: 624.6±34.3 °C
Index of Refraction: 1.731
Molar Refractivity: 196.3±0.5 cm3
#H bond acceptors: 22
#H bond donors: 16
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -2.66
ACD/LogD (pH 5.5): -9.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 348 Å2
Polarizability: 77.8±0.5 10-24cm3
Surface Tension: 72.4±7.0 dyne/cm
Molar Volume: 491.1±7.0 cm3

Click to predict properties on the Chemicalize site


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