ChemSpider 2D Image | arenastatin A | C34H42N2O8

arenastatin A

  • Molecular FormulaC34H42N2O8
  • Average mass606.706 Da
  • Monoisotopic mass606.294128 Da
  • ChemSpider ID8114359

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3S,10R,13E,16S)-10-(4-methoxybenzyl)-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
(3S,10R,13E,16S)-3-Isobutyl-10-(4-methoxybenzyl)-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)-3-Isobutyl-10-(4-methoxybenzyl)-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)-3-Isobutyl-10-(4-méthoxybenzyl)-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-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiranyl]ethyl]-, (3S,10R,13E,16S)- [ACD/Index Name]
arenastatin A
(E)-(1S,9R,16S)-3-Isobutyl-10-(4-methoxy-benzyl)-16-[(S)-1-((2R,3R)-3-phenyl-oxiranyl)-ethyl]-1,4-dioxa-8,11-diaza-cyclohexadec-13-ene-2,5,9,12-tetraone
(E)-(3S,10R,16S)-3-Isobutyl-10-(4-methoxy-benzyl)-16-[(S)-1-((2R,3R)-3-phenyl-oxiranyl)-ethyl]-1,4-dioxa-8,11-diaza-cyclohexadec-13-ene-2,5,9,12-tetraone
(E)-(9R,16S)-3-Isobutyl-10-(4-methoxy-benzyl)-16-[(S)-1-((2R,3R)-3-phenyl-oxiranyl)-ethyl]-1,4-dioxa-8,11-diaza-cyclohexadec-13-ene-2,5,9,12-tetraone
Cryptophycin 24
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 876.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 484.0±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 162.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.32
ACD/KOC (pH 5.5): 646.92
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.31
ACD/KOC (pH 7.4): 646.91
Polar Surface Area: 133 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 527.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement