ChemSpider 2D Image | N(1),N(5)-dihydroxyferuloyl-N(10)-sinapoyl spermidine | C38H45N3O12

N(1),N(5)-dihydroxyferuloyl-N(10)-sinapoyl spermidine

  • Molecular FormulaC38H45N3O12
  • Average mass735.777 Da
  • Monoisotopic mass735.300354 Da
  • ChemSpider ID26332254

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3,4-Dihydroxy-5-methoxyphenyl)-N-(3-{[(2E)-3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoyl]amino}propyl)-N-(4-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]amino}butyl)acrylamid [German] [ACD/IUPAC Name]
(2E)-3-(3,4-Dihydroxy-5-methoxyphenyl)-N-(3-{[(2E)-3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoyl]amino}propyl)-N-(4-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]amino}butyl)acrylamide [ACD/IUPAC Name]
(2E)-3-(3,4-Dihydroxy-5-méthoxyphényl)-N-(3-{[(2E)-3-(3,4-dihydroxy-5-méthoxyphényl)-2-propenoyl]amino}propyl)-N-(4-{[(2E)-3-(4-hydroxy-3,5-diméthoxyphényl)-2-propenoyl]amino}butyl)acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-(3,4-dihydroxy-5-methoxyphenyl)-N-[3-[[(2E)-3-(3,4-dihydroxy-5-methoxyphenyl)-1-oxo-2-propen-1-yl]amino]propyl]-N-[4-[[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]amino ]butyl]-, (2E)- [ACD/Index Name]
N(1),N(5)-dihydroxyferuloyl-N(10)-sinapoyl spermidine
(2E)-3-(3,4-dihydroxy-5-methoxyphenyl)-N-(3-{[(2E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]amino}propyl)-N-(4-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]amino}butyl)prop-2-enamide
C18073
N1,N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1081.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.1±3.0 kJ/mol
Flash Point: 607.8±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 201.9±0.3 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.57
ACD/KOC (pH 5.5): 212.91
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 11.88
ACD/KOC (pH 7.4): 201.12
Polar Surface Area: 217 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 554.1±3.0 cm3

Click to predict properties on the Chemicalize site


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