ChemSpider 2D Image | (3aS,4R,5R,6S,6aR)-2-(Dimethylamino)-4-hydroxy-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl 2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-allopyranosyl)-2-deoxy-beta-D-allopyr anoside | C25H42N4O14

(3aS,4R,5R,6S,6aR)-2-(Dimethylamino)-4-hydroxy-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl 2-acetamido-4-O-(2-acetamido-2-deoxy-β-D-allopyranosyl)-2-deoxy-β-D-allopyr anoside

  • Molecular FormulaC25H42N4O14
  • Average mass622.619 Da
  • Monoisotopic mass622.269775 Da
  • ChemSpider ID59700808

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3aS,4R,5R,6S,6aR)-2-(Dimethylamino)-4-hydroxy-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl 2-acetamido-4-O-(2-acetamido-2-deoxy-β-D-allopyranosyl)-2-deoxy-β-D-allopyr anoside [ACD/IUPAC Name]
(3aS,4R,5R,6S,6aR)-2-(Dimethylamino)-4-hydroxy-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl-2-acetamido-4-O-(2-acetamido-2-desoxy-β-D-allopyranosyl)-2-desoxy-β-D-allop yranosid [German] [ACD/IUPAC Name]
2-Acétamido-4-O-(2-acétamido-2-désoxy-β-D-allopyranosyl)-2-désoxy-β-D-allopyranoside de (3aS,4R,5R,6S,6aR)-2-(diméthylamino)-4-hydroxy-6-(hydroxyméthyl)-4,5,6,6a-tétrahydro-3aH-cyclopenta[d][1,3 ]oxazol-5-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (3aS,4R,5R,6S,6aR)-2-(dimethylamino)-3a,5,6,6a-tetrahydro-4-hydroxy-6-(hydroxymethyl)-4H-cyclopent[d]oxazol-5-yl 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-allopyranosy l]-2-deoxy- [ACD/Index Name]
allosamidin

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 134.6±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.66
ACD/LogD (pH 5.5): -3.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 262 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 69.9±7.0 dyne/cm
Molar Volume: 349.5±7.0 cm3

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