Found 37 results

Search term: MF = 'C_{35}H_{42}N_{2}O_{9}'
ChemSpider 2D Image | (2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(5S)-5-(methoxymethyl)tetrahydro-3-furanyl]hexanediamide | C35H42N2O9

(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(5S)-5-(methoxymethyl)tetrahydro-3-furanyl]hexanediamide

  • Molecular FormulaC35H42N2O9
  • Average mass634.716 Da
  • Monoisotopic mass634.289001 Da
  • ChemSpider ID439917

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(5S)-5-(methoxymethyl)tetrahydro-3-furanyl]hexandiamid [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(5S)-5-(methoxymethyl)tetrahydro-3-furanyl]hexanediamide [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]-N'-[(5S)-5-(méthoxyméthyl)tétrahydro-3-furanyl]hexanediamide [French] [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-hexanedioic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide ((S)-5-methoxymethyl-tetrahydro-furan-3-yl)-amide

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

AIDS166170 [DBID]
AIDS-166170 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 930.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.8±3.0 kJ/mol
Flash Point: 516.4±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 169.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 207.53
ACD/KOC (pH 5.5): 1585.53
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 207.53
ACD/KOC (pH 7.4): 1585.51
Polar Surface Area: 156 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 475.9±5.0 cm3

Click to predict properties on the Chemicalize site


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