ChemSpider 2D Image | (1Z)-1-{[1,3-Dihydroxy-2-(hydroxymethyl)-2-propanyl]imino}-8,9-dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1H)-one | C21H23NO10

(1Z)-1-{[1,3-Dihydroxy-2-(hydroxymethyl)-2-propanyl]imino}-8,9-dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1H)-one

  • Molecular FormulaC21H23NO10
  • Average mass449.408 Da
  • Monoisotopic mass449.132202 Da
  • ChemSpider ID34560952
  • Double-bond stereo - Double-bond stereo


More details:






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

(1Z)-1-{[1,3-Dihydroxy-2-(hydroxymethyl)-2-propanyl]imino}-8,9-dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1H)-on [German] [ACD/IUPAC Name]
(1Z)-1-{[1,3-Dihydroxy-2-(hydroxymethyl)-2-propanyl]imino}-8,9-dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1H)-one [ACD/IUPAC Name]
(1Z)-1-{[1,3-Dihydroxy-2-(hydroxyméthyl)-2-propanyl]imino}-8,9-dihydroxy-4-méthoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromén-11(1H)-one [French] [ACD/IUPAC Name]
Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-11(1H)-one, 2,3,6a,8,9,9a-hexahydro-8,9-dihydroxy-1-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]imino]-4-methoxy-, (1Z)- [ACD/Index Name]
128856-77-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 809.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.3±34.3 °C
Index of Refraction: 1.752
Molar Refractivity: 100.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.61
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.62
Polar Surface Area: 168 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 76.3±7.0 dyne/cm
Molar Volume: 246.6±7.0 cm3

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