ChemSpider 2D Image | 1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol | C17H24O7

1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol

  • Molecular FormulaC17H24O7
  • Average mass340.368 Da
  • Monoisotopic mass340.152191 Da
  • ChemSpider ID25057395

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,3S,5aR,6aS,7R,7aR,12aS,13aR,14aS)-2-(Hydroxymethyl)-2,3,5a,6a,7,7a,9,12,12a,13a,14,14a-dodecahydrooxepino[2'',3'':5',6']pyrano[2',3':5,6]pyrano[3,2-b]oxepin-3,7-diol [German] [ACD/IUPAC Name]
(2R,3S,5aR,6aS,7R,7aR,12aS,13aR,14aS)-2-(Hydroxymethyl)-2,3,5a,6a,7,7a,9,12,12a,13a,14,14a-dodecahydrooxepino[2'',3'':5',6']pyrano[2',3':5,6]pyrano[3,2-b]oxepine-3,7-diol [ACD/IUPAC Name]
(2R,3S,5aR,6aS,7R,7aR,12aS,13aR,14aS)-2-(Hydroxyméthyl)-2,3,5a,6a,7,7a,9,12,12a,13a,14,14a-dodécahydrooxépino[2'',3'':5',6']pyrano[2',3':5,6]pyrano[3,2-b]oxépine-3,7-diol [French] [ACD/IUPAC Name]
1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol
676609-89-5 [RN]
D-glycero-D-allo-D-gulo-Heptadeca-2,13-dienitol, 1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy- [ACD/Index Name]

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

9432375 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 313.2±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 38.01
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.13
ACD/KOC (pH 7.4): 38.01
Polar Surface Area: 98 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 261.2±3.0 cm3

Click to predict properties on the Chemicalize site


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