ChemSpider 2D Image | cryptophycin 175 | C35H42Cl2N2O7

cryptophycin 175

  • Molecular FormulaC35H42Cl2N2O7
  • Average mass673.623 Da
  • Monoisotopic mass672.236877 Da
  • ChemSpider ID8779889

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,6R,10R,13E,16S)-10-(3,5-Dichlor-4-methoxybenzyl)-3-isobutyl-6-methyl-16-[(2R,3E)-4-phenyl-3-buten-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-2,5,9,12-tetron [German] [ACD/IUPAC Name]
(3S,6R,10R,13E,16S)-10-(3,5-Dichloro-4-methoxybenzyl)-3-isobutyl-6-methyl-16-[(2R,3E)-4-phenyl-3-buten-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone [ACD/IUPAC Name]
(3S,6R,10R,13E,16S)-10-(3,5-Dichloro-4-méthoxybenzyl)-3-isobutyl-6-méthyl-16-[(2R,3E)-4-phényl-3-butén-2-yl]-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]-6-methyl-16-[(1R,2E)-1-methyl-3-phenyl-2-propen-1-yl]-3-(2-methylpropyl)-, (3S,6R,10R,13E,16S)- [ACD/Index Name]
cryptophycin 175
(3S,6R,10R,13E,16S)-10-(3,5-dichloro-4-methoxybenzyl)-6-methyl-3-(2-methylpropyl)-16-[(2R,3E)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
Cryptophycin-175

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

Density: 1.2±0.1 g/cm3
Boiling Point: 886.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.8±3.0 kJ/mol
Flash Point: 489.7±34.3 °C
Index of Refraction: 1.534
Molar Refractivity: 179.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3942.09
ACD/KOC (pH 5.5): 13044.12
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3942.05
ACD/KOC (pH 7.4): 13044.00
Polar Surface Area: 120 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 575.4±3.0 cm3

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