ChemSpider 2D Image | 4-Hydroxy-5-(1-hydroxyheptyl)-10-[hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-5,9,10,11-tetrahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6,8(4H)-tetrone | C26H30O11

4-Hydroxy-5-(1-hydroxyheptyl)-10-[hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-5,9,10,11-tetrahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6,8(4H)-tetrone

  • Molecular FormulaC26H30O11
  • Average mass518.510 Da
  • Monoisotopic mass518.178833 Da
  • ChemSpider ID28591

More details:

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

1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone, 10-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)- [ACD/Index Name]
21794-01-4 [RN]
244-582-6 [EINECS]
4-Hydroxy-5-(1-hydroxyheptyl)-10-[hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-5,9,10,11-tetrahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6,8(4H)-tetron [German] [ACD/IUPAC Name]
4-Hydroxy-5-(1-hydroxyheptyl)-10-[hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-5,9,10,11-tetrahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6,8(4H)-tetrone [ACD/IUPAC Name]
4-Hydroxy-5-(1-hydroxyheptyl)-10-[hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)méthyl]-5,9,10,11-tétrahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furane-1,3,6,8(4H)-tétrone [French] [ACD/IUPAC Name]
(4R*,5S*(R*),10S*(S*(S*)))-(+)-10-((3,6-Dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone
1,5-Cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-3-hydroxy-4-(1-hydroxyheptyl)-
1,5-Cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-3-hydroxy-4-(1-hydroxyheptyl)- (8CI)
1,5-Cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-3-hydroxy-4-(1-hydroxyheptyl)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 1633114 [DBID]
CCRIS 4939 [DBID]
HSDB 3533 [DBID]
NSC 126729 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 807.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.7±6.0 kJ/mol
Flash Point: 271.8±27.8 °C
Index of Refraction: 1.608
Molar Refractivity: 123.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.04
ACD/KOC (pH 5.5): 181.36
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.03
ACD/KOC (pH 7.4): 181.33
Polar Surface Area: 174 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 356.6±5.0 cm3

Click to predict properties on the Chemicalize site


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