ChemSpider 2D Image | (4R)-4-Hydroxy-5-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy(6-oxotetrahydro-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 | C26H32O11

(4R)-4-Hydroxy-5-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy(6-oxotetrahydro-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 FormulaC26H32O11
  • Average mass520.526 Da
  • Monoisotopic mass520.194458 Da
  • ChemSpider ID170750

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(4R)-4-Hydroxy-5-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy(6-oxotetrahydro-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]
(4R)-4-Hydroxy-5-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy(6-oxotetrahydro-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]
(4R)-4-Hydroxy-5-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy(6-oxotétrahydro-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]
1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone, 5,9,10,11-tetrahydro-4-hydroxy-5-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy(tetrahydro-6-oxo-2H-pyran-2-yl)methyl]-, (4R)- [ACD/Index Name]
(2R)-2-HYDROXY-10-[(S)-HYDROXY(6-OXOOXAN-2-YL)METHYL]-3-[(1R)-1-HYDROXYHEPTYL]-6,14-DIOXATRICYCLO[10.3.0.0?,?]PENTADECA-1(12),4(8)-DIENE-5,7,13,15-TETRONE
31924-91-1 [RN]
Dihydrorubratoxin B
Hydrogenated rubratoxin
Rubratoxin B, dihydro-

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

BRN 1613821 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 805.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.4±6.0 kJ/mol
Flash Point: 270.4±27.8 °C
Index of Refraction: 1.595
Molar Refractivity: 123.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.75
ACD/KOC (pH 5.5): 177.60
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.74
ACD/KOC (pH 7.4): 177.57
Polar Surface Area: 174 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 363.3±5.0 cm3

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