ChemSpider 2D Image | cryptophycin 176 | C33H39ClN2O8

cryptophycin 176

  • Molecular FormulaC33H39ClN2O8
  • Average mass627.124 Da
  • Monoisotopic mass626.239502 Da
  • ChemSpider ID10213156

  • 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-Chlor-4-hydroxybenzyl)-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-Chloro-4-hydroxybenzyl)-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-Chloro-4-hydroxybenzyl)-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-chloro-4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiranyl]ethyl]-, (3S,10R,13E,16S)- [ACD/Index Name]
cryptophycin 176
(3S,10R,13E,16S)-10-(3-chloro-4-hydroxybenzyl)-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
Cryptophycin-176
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL452431/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 899.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.2±3.0 kJ/mol
Flash Point: 497.7±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 162.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.50
ACD/KOC (pH 5.5): 663.67
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 56.74
ACD/KOC (pH 7.4): 612.34
Polar Surface Area: 144 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 513.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement