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-2-Deoxy-4,6-O-[(1r)-3-Phenylpropylidene]-Alpha-D-Glucopyranoside | C32H53N5O14

(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-2-Deoxy-4,6-O-[(1r)-3-Phenylpropylidene]-α-D-Glucopyranoside

  • Molecular FormulaC32H53N5O14
  • Average mass731.788 Da
  • Monoisotopic mass731.358887 Da
  • ChemSpider ID29786210

  • defined stereocentres - 20 of 20 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-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-α-D-glucopyranosid e [ACD/IUPAC Name]
(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-2-Deoxy-4,6-O-[(1r)-3-Phenylpropylidene]-α-D-Glucopyranoside
(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-2-desoxy-4,6-O-[(1R)-3-phenylpropyliden]-α-D-glucopyranosi d [German] [ACD/IUPAC Name]
2-Amino-2-désoxy-4,6-O-[(1R)-3-phénylpropylidène]-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-hydroxycycl ohexyle [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-2-deoxy-4,6-O-[(1R)-3-phenylpropyliden e]- [ACD/Index Name]
4',6'-O-(3-Phenylpropylidene)paromomycin
M5Z

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

Density: 1.5±0.1 g/cm3
Boiling Point: 975.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.0±3.0 kJ/mol
Flash Point: 544.0±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 177.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 16
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.01
ACD/LogD (pH 5.5): -8.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 325 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 88.6±5.0 dyne/cm
Molar Volume: 479.4±5.0 cm3

Click to predict properties on the Chemicalize site


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