ChemSpider 2D Image | cryptophycin C | C35H43ClN2O7

cryptophycin C

  • Molecular FormulaC35H43ClN2O7
  • Average mass639.178 Da
  • Monoisotopic mass638.275879 Da
  • ChemSpider ID8434062

  • 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,10S,13E,16S)-10-(3-Chlor-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,10S,13E,16S)-10-(3-Chloro-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,10S,13E,16S)-10-(3-Chloro-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]
(3S,6R,10S,13E,16S)-10-(3-Chloro-4-methoxybenzyl)-3-isobutyl-6-methyl-16-[(2R,3E)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
1,4-Dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone, 10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-16-[(1R,2E)-1-methyl-3-phenyl-2-propen-1-yl]-3-(2-methylpropyl)-, (3S,6R,10S,13E,16S)- [ACD/Index Name]
cryptophycin 46
cryptophycin C
(3S,6R,10S,13E,16S)-10-(3-chloro-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
124689-64-1 [RN]
Cryptophycin-46
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 872.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 481.5±34.3 °C
Index of Refraction: 1.530
Molar Refractivity: 174.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1111.47
ACD/KOC (pH 5.5): 5270.50
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1111.46
ACD/KOC (pH 7.4): 5270.46
Polar Surface Area: 120 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 563.4±3.0 cm3

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