ChemSpider 2D Image | cryptophycin 326 | C34H40Cl2N2O8

cryptophycin 326

  • Molecular FormulaC34H40Cl2N2O8
  • Average mass675.596 Da
  • Monoisotopic mass674.216187 Da
  • ChemSpider ID9344966

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,10R,13E,16S)-10-(3,5-Dichlor-4-methoxybenzyl)-3-isobutyl-16-{(1S)-1-[(2R,3R)-3-phenyl-2-oxiranyl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-en-2,5,9,12-tetron [German] [ACD/IUPAC Name]
(3S,10R,13E,16S)-10-(3,5-Dichloro-4-methoxybenzyl)-3-isobutyl-16-{(1S)-1-[(2R,3R)-3-phenyl-2-oxiranyl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone [ACD/IUPAC Name]
(3S,10R,13E,16S)-10-(3,5-Dichloro-4-méthoxybenzyl)-3-isobutyl-16-{(1S)-1-[(2R,3R)-3-phényl-2-oxiranyl]éthyl}-1,4-dioxa-8,11-diazacyclohexadéc-13-ène-2,5,9,12-tétrone [French] [ACD/IUPAC Name]
1,4-Dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone, 10-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiranyl]ethyl]-, (3S,10R,13E,16S)- [ACD/Index Name]
cryptophycin 326
Cryptophycin-326

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

Density: 1.2±0.1 g/cm3
Boiling Point: 903.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 500.5±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 172.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 142.19
ACD/KOC (pH 5.5): 1209.56
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 142.19
ACD/KOC (pH 7.4): 1209.55
Polar Surface Area: 133 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 551.1±3.0 cm3

Click to predict properties on the Chemicalize site


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