Found 1 result

Search term: 30825035 (Found by CSID)
ChemSpider 2D Image | N-[(3S,6S,7S,10S,14R,15R)-15-Benzyl-14-hydroxy-3,10-diisopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl]-3-formamido-2-hydroxybenzamide | C35H44N2O12

N-[(3S,6S,7S,10S,14R,15R)-15-Benzyl-14-hydroxy-3,10-diisopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl]-3-formamido-2-hydroxybenzamide

  • Molecular FormulaC35H44N2O12
  • Average mass684.730 Da
  • Monoisotopic mass684.289429 Da
  • ChemSpider ID30825035

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

N-[(3S,6S,7S,10S,14R,15R)-15-Benzyl-14-hydroxy-3,10-diisopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl]-3-formamido-2-hydroxybenzamid [German] [ACD/IUPAC Name]
N-[(3S,6S,7S,10S,14R,15R)-15-Benzyl-14-hydroxy-3,10-diisopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl]-3-formamido-2-hydroxybenzamide [ACD/IUPAC Name]
N-[(3S,6S,7S,10S,14R,15R)-15-Benzyl-14-hydroxy-3,10-diisopropyl-7,13,13-triméthyl-2,5,9,12-tétraoxo-1,4,8,11-tétraoxacyclopentadécan-6-yl]-3-formamido-2-hydroxybenzamide [French] [ACD/IUPAC Name]
neoantimycin F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 926.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.1±3.0 kJ/mol
Flash Point: 514.0±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 174.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.17
ACD/KOC (pH 5.5): 1062.28
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 61.56
ACD/KOC (pH 7.4): 548.72
Polar Surface Area: 204 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 522.7±5.0 cm3

Click to predict properties on the Chemicalize site


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