ChemSpider 2D Image | SELDOMYCIN 5 | C18H38N6O7

SELDOMYCIN 5

  • Molecular FormulaC18H38N6O7
  • Average mass450.530 Da
  • Monoisotopic mass450.280212 Da
  • ChemSpider ID58145518

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1R,2R,3S,4R,6S)-4,6-Diamino-3-[(2,3-diamino-2,3-dideoxy-4-O-methyl-α-D-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-α-D-xylo-hexopyranoside [ACD/IUPAC Name]
(1R,2R,3S,4R,6S)-4,6-Diamino-3-[(2,3-diamino-2,3-didesoxy-4-O-methyl-α-D-xylopyranosyl)oxy]-2-hydroxycyclohexyl-2,6-diamino-2,4,6-tridesoxy-α-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
2,6-Diamino-2,4,6-tridésoxy-α-D-xylo-hexopyranoside de (1R,2R,3S,4R,6S)-4,6-diamino-3-[(2,3-diamino-2,3-didésoxy-4-O-méthyl-α-D-xylopyranosyl)oxy]-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
SELDOMYCIN 5
α-D-xylo-Hexopyranoside, (1R,2R,3S,4R,6S)-4,6-diamino-3-[(2,3-diamino-2,3-dideoxy-4-O-methyl-α-D-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy- [ACD/Index Name]
75635-18-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 678.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±6.0 kJ/mol
Flash Point: 364.2±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 112.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 14
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.39
ACD/LogD (pH 5.5): -10.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 243 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 323.0±5.0 cm3

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