ChemSpider 2D Image | (2R,3S,4R,5R,6S)-5-Amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-3-{[(2S,4R,5S,6S)-6-amino-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol (n on-preferred name) | C17H34N4O10

(2R,3S,4R,5R,6S)-5-Amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-3-{[(2S,4R,5S,6S)-6-amino-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol (n on-preferred name)

  • Molecular FormulaC17H34N4O10
  • Average mass454.473 Da
  • Monoisotopic mass454.227478 Da
  • ChemSpider ID57261138

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2R,3S,4R,5R,6S)-5-Amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-3-{[(2S,4R,5S,6S)-6-amino-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol (n on-preferred name) [German] [ACD/IUPAC Name]
(2R,3S,4R,5R,6S)-5-Amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-3-{[(2S,4R,5S,6S)-6-amino-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol (n on-preferred name) [ACD/IUPAC Name]
(2R,3S,4R,5R,6S)-5-Amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-3-{[(2S,4R,5S,6S)-6-amino-4,5-dihydroxytétrahydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-2-(hydroxyméthyl)tétrahydro-2H-pyrane-3,4-diol ( non-preferred name) [French] [ACD/IUPAC Name]
56276-04-1 [RN]
SELDOMYCIN 1

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

Density: 1.6±0.1 g/cm3
Boiling Point: 760.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.4±6.0 kJ/mol
Flash Point: 413.9±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 14
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.58
ACD/LogD (pH 5.5): -9.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 262 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 99.8±5.0 dyne/cm
Molar Volume: 283.6±5.0 cm3

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