ChemSpider 2D Image | (1R,2R,3S,4R,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-O-(4-chlorobenzyl)-2-deoxy-alpha-D-glucopyranoside | C30H50ClN5O14

(1R,2R,3S,4R,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-O-(4-chlorobenzyl)-2-deoxy-α-D-glucopyranoside

  • Molecular FormulaC30H50ClN5O14
  • Average mass740.196 Da
  • Monoisotopic mass739.304260 Da
  • ChemSpider ID29786203

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(1R,2R,3S,4R,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-O-(4-chlorobenzyl)-2-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2R,3S,4R,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-didesoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl-2-amino-4-O-(4-chlorbenzyl)-2-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
(2S,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2S,3R,4R,5S,6R)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-
2-Amino-4-O-(4-chlorobenzyl)-2-désoxy-α-D-glucopyranoside de (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-didésoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1R,2R,3S,4R,6S)-4,6-diamino-2-[[3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy]-3-hydroxycyclohexyl 2-amino-4-O-[(4-chlorophenyl)methyl]-2-deoxy- [ACD/Index Name]
(2s,3s,4r,5r,6r)-2-(Aminomethyl)-5-Azanyl-6-
3TS
4'-O-(4-Chlorobenzyl)paromomycin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 986.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.7±3.0 kJ/mol
Flash Point: 550.6±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 175.2±0.4 cm3
#H bond acceptors: 19
#H bond donors: 17
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -8.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 336 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 94.1±5.0 dyne/cm
Molar Volume: 467.5±5.0 cm3

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