ChemSpider 2D Image | (1R,2R,3S,4R,6S)-6-Amino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-D-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3,4-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside | C23H45N5O14

(1R,2R,3S,4R,6S)-6-Amino-2-{[3-O-(2,6-diamino-2,6-dideoxy-α-D-idopyranosyl)-β-D-ribofuranosyl]oxy}-3,4-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside

  • Molecular FormulaC23H45N5O14
  • Average mass615.628 Da
  • Monoisotopic mass615.296326 Da
  • ChemSpider ID2342982

  • 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)-6-Amino-2-{[3-O-(2,6-diamino-2,6-dideoxy-α-D-idopyranosyl)-β-D-ribofuranosyl]oxy}-3,4-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2R,3S,4R,6S)-6-Amino-2-{[3-O-(2,6-diamino-2,6-didesoxy-α-D-idopyranosyl)-β-D-ribofuranosyl]oxy}-3,4-dihydroxycyclohexyl-2,6-diamino-2,6-didesoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2,6-Diamino-2,6-didésoxy-α-D-glucopyranoside de (1R,2R,3S,4R,6S)-6-amino-2-{[3-O-(2,6-diamino-2,6-didésoxy-α-D-idopyranosyl)-β-D-ribofuranosyl]oxy}-3,4-dihydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1R,2R,3S,4R,6S)-6-amino-2-[[3-O-(2,6-diamino-2,6-dideoxy-α-D-idopyranosyl)-β-D-ribofuranosyl]oxy]-3,4-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy- [ACD/Index Name]
91421-97-5 [RN]
Bu 2659A
D-myo-Inositol, O-2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1-4)-O-(O-2,6-diamino-2,6-dideoxy-β-L-idopyranosyl-(1-3)-β-D-ribofuranosyl-(1-5))-3-amino-2,3-dideoxy-
Inosamycin A

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

BMY-28162 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 923.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.5±6.0 kJ/mol
Flash Point: 512.5±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 18
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.32
ACD/LogD (pH 5.5): -11.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 347 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 106.4±5.0 dyne/cm
Molar Volume: 374.1±5.0 cm3

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