ChemSpider 2D Image | (4R,10S,13S,15E,17R,19S)-4-(4-Hydroxyphenyl)-7-[(4-methoxy-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-4-yl)methyl]-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone | C37H48N4O9

(4R,10S,13S,15E,17R,19S)-4-(4-Hydroxyphenyl)-7-[(4-methoxy-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-4-yl)methyl]-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone

  • Molecular FormulaC37H48N4O9
  • Average mass692.798 Da
  • Monoisotopic mass692.342102 Da
  • ChemSpider ID27023947

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(4R,10S,13S,15E,17R,19S)-4-(4-Hydroxyphenyl)-7-[(4-methoxy-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-4-yl)methyl]-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-en-2,6,9,12-tetron [German] [ACD/IUPAC Name]
(4R,10S,13S,15E,17R,19S)-4-(4-Hydroxyphenyl)-7-[(4-methoxy-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-4-yl)methyl]-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone [ACD/IUPAC Name]
(4R,10S,13S,15E,17R,19S)-4-(4-Hydroxyphényl)-7-[(4-méthoxy-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-4-yl)méthyl]-8,10,13,15,17,19-hexaméthyl-1-oxa-5,8,11-triazacyclononadéc-15-ène-2,6,9,12-tétrone [French] [ACD/IUPAC Name]
1-Oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone, 7-[(1,4-dihydro-4-methoxy-2-oxo-2H-3,1-benzoxazin-4-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-, (4R,10S,13S,15E,17R,19S)- [ACD/Index Name]
jaspamide P
  • Miscellaneous

    • Chemical Class:

      A cyclodepsipeptide isolated from <ital>Jaspis splendens</ital>. A derivative of jaspamide, it has been shown to exhibit cytotoxic and microfilament disruption activity. ChEBI CHEBI:66118
      A cyclodepsipeptide isolated from Jaspis splendens. A derivative of jaspamide, it has been shown to exhibit cytotoxic and microfilament disruption activity. ChEBI CHEBI:66118

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

Density: 1.3±0.1 g/cm3
Boiling Point: 913.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.4±3.0 kJ/mol
Flash Point: 506.4±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 184.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 161.68
ACD/KOC (pH 5.5): 1326.01
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 160.91
ACD/KOC (pH 7.4): 1319.73
Polar Surface Area: 173 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 541.5±5.0 cm3

Click to predict properties on the Chemicalize site


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