ChemSpider 2D Image | (2R,3S,4S,5R,6R)-4,5-Bis(benzyloxy)-6-[(benzyloxy)methyl]-2-{(2R)-2-nitro-2-[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-methoxytetrahydro-2H-pyran-2-yl]ethyl}tetrahydro-2H-pyran-3-yl acetate (non-preferred n ame) | C43H51NO16

(2R,3S,4S,5R,6R)-4,5-Bis(benzyloxy)-6-[(benzyloxy)methyl]-2-{(2R)-2-nitro-2-[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-methoxytetrahydro-2H-pyran-2-yl]ethyl}tetrahydro-2H-pyran-3-yl acetate (non-preferred n ame)

  • Molecular FormulaC43H51NO16
  • Average mass837.862 Da
  • Monoisotopic mass837.320801 Da
  • ChemSpider ID9117089

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2R,3S,4S,5R,6R)-4,5-Bis(benzyloxy)-6-[(benzyloxy)methyl]-2-{(2R)-2-nitro-2-[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-methoxytetrahydro-2H-pyran-2-yl]ethyl}tetrahydro-2H-pyran-3-yl acetate (non-preferred n ame) [ACD/IUPAC Name]
(2R,3S,4S,5R,6R)-4,5-Bis(benzyloxy)-6-[(benzyloxy)methyl]-2-{(2R)-2-nitro-2-[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-methoxytetrahydro-2H-pyran-2-yl]ethyl}tetrahydro-2H-pyran-3-yl-acetat (non-preferred na me) [German] [ACD/IUPAC Name]
Acétate de (2R,3S,4S,5R,6R)-4,5-bis(benzyloxy)-6-[(benzyloxy)méthyl]-2-{(2R)-2-nitro-2-[(2R,3R,4S,5R,6S)-3,4,5-triacétoxy-6-méthoxytétrahydro-2H-pyran-2-yl]éthyl}tétrahydro-2H-pyran-3-yle (non-preferr ed name) [French] [ACD/IUPAC Name]
D-erythro-L-ido-α-D-gluco-Tridecopyranoside, methyl 8,12-anhydro-6,7-dideoxy-6-nitro-10,11,13-tris-O-(phenylmethyl)-, 2,3,4,9-tetraacetate [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 834.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 247.9±36.3 °C
Index of Refraction: 1.576
Molar Refractivity: 211.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 0
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 8920.98
ACD/KOC (pH 5.5): 11773.52
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 434.86
ACD/KOC (pH 7.4): 573.90
Polar Surface Area: 206 Å2
Polarizability: 83.9±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 639.7±5.0 cm3

Click to predict properties on the Chemicalize site


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