ChemSpider 2D Image | (2S)-2-{(2S)-4-{(2E,4E,6R)-6-[(1R,2R,5R,6S,7R)-1,6-Dimethylspiro[8,9-dioxabicyclo[3.3.1]non-3-ene-2,2'-oxiran]-7-yl]-1-hydroxy-4-methyl-2,4-heptadien-1-yl}-1-[(2S,5S,6S)-5-hydroxy-6-methyl-5,6-dihydro -2H-pyran-2-yl]-3,5-dioxo-2-pyrrolidinyl}-N-methylpropanamide | C32H44N2O9

(2S)-2-{(2S)-4-{(2E,4E,6R)-6-[(1R,2R,5R,6S,7R)-1,6-Dimethylspiro[8,9-dioxabicyclo[3.3.1]non-3-ene-2,2'-oxiran]-7-yl]-1-hydroxy-4-methyl-2,4-heptadien-1-yl}-1-[(2S,5S,6S)-5-hydroxy-6-methyl-5,6-dihydro -2H-pyran-2-yl]-3,5-dioxo-2-pyrrolidinyl}-N-methylpropanamide

  • Molecular FormulaC32H44N2O9
  • Average mass600.700 Da
  • Monoisotopic mass600.304688 Da
  • ChemSpider ID61713055

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 13 defined stereocentres

More details:

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

(2S)-2-{(2S)-4-{(2E,4E,6R)-6-[(1R,2R,5R,6S,7R)-1,6-Dimethylspiro[8,9-dioxabicyclo[3.3.1]non-3-ene-2,2'-oxiran]-7-yl]-1-hydroxy-4-methyl-2,4-heptadien-1-yl}-1-[(2S,5S,6S)-5-hydroxy-6-methyl-5,6-dihydro -2H-pyran-2-yl]-3,5-dioxo-2-pyrrolidinyl}-N-methylpropanamide [ACD/IUPAC Name]
(2S)-2-{(2S,4S)-4-{(1S,2E,4E,6R)-6-[(1R,2R,5R,6S,7R)-1,6-Dimethylspiro[8,9-dioxabicyclo[3.3.1]non-3-ene-2,2'-oxiran]-7-yl]-1-hydroxy-4-methyl-2,4-heptadien-1-yl}-1-[(2S,5S,6S)-5-hydroxy-6-methyl-5,6-d ihydro-2H-pyran-2-yl]-3,5-dioxo-2-pyrrolidinyl}-N-methylpropanamide [ACD/IUPAC Name]
2-Pyrrolidineacetamide, 1-[(2S,5S,6S)-5,6-dihydro-5-hydroxy-6-methyl-2H-pyran-2-yl]-4-[(1S,2E,4E,6R)-6-[(1R,3R,4S,5R,8R)-1,4-dimethylspiro[2,9-dioxabicyclo[3.3.1]non-6-ene-8,2'-oxiran]-3-yl]-1-hydroxy ;-4-methyl-2,4-heptadien-1-yl]-N,α-dimethyl-3,5-dioxo-, (αS,2S,4S)- [ACD/Index Name]
2-Pyrrolidineacetamide, 1-[(2S,5S,6S)-5,6-dihydro-5-hydroxy-6-methyl-2H-pyran-2-yl]-4-[(2E,4E,6R)-6-[(1R,3R,4S,5R,8R)-1,4-dimethylspiro[2,9-dioxabicyclo[3.3.1]non-6-ene-8,2'-oxiran]-3-yl]-1-hydroxy-4- ;methyl-2,4-heptadien-1-yl]-N,α-dimethyl-3,5-dioxo-, (αS,2S)- [ACD/Index Name]
STD
Streptolydigin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 820.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.7±6.0 kJ/mol
Flash Point: 449.8±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 157.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.46
ACD/KOC (pH 5.5): 45.66
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.46
ACD/KOC (pH 7.4): 45.59
Polar Surface Area: 147 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 460.6±5.0 cm3

Click to predict properties on the Chemicalize site


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