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Search term: VVWLHUXTBJWIOB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Fusicoccin A-Thf | C32H50O9

Fusicoccin A-Thf

  • Molecular FormulaC32H50O9
  • Average mass578.734 Da
  • Monoisotopic mass578.345459 Da
  • ChemSpider ID35035910

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1S,3aS,4R,5R,6R,7aS,10aS,10bR,11E)-5-Hydroxy-7-isopropyl-1-(methoxymethyl)-4,10b-dimethyl-1,2,3,3a,4,5,6,7a,8,9,10a,10b-dodecahydrocyclopenta[4',5']cycloocta[1',2':4,5]cyclopenta[1,2-b]furan-6-yl 4,6 ;-O-isopropylidene-α-D-glucopyranoside [ACD/IUPAC Name]
(1S,3aS,4R,5R,6R,7aS,10aS,10bR,11E)-5-Hydroxy-7-isopropyl-1-(methoxymethyl)-4,10b-dimethyl-1,2,3,3a,4,5,6,7a,8,9,10a,10b-dodecahydrocyclopenta[4',5']cycloocta[1',2':4,5]cyclopenta[1,2-b]furan-6-yl-4,6 ;-O-isopropyliden-α-D-glucopyranosid [German] [ACD/IUPAC Name]
4,6-O-Isopropylidène-α-D-glucopyranoside de (1S,3aS,4R,5R,6R,7aS,10aS,10bR,11E)-5-hydroxy-7-isopropyl-1-(méthoxyméthyl)-4,10b-diméthyl-1,2,3,3a,4,5,6,7a,8,9,10a,10b-dodécahydrocyclopenta[4',5']cyc loocta[1',2':4,5]cyclopenta[1,2-b]furan-6-yle [French] [ACD/IUPAC Name]
Fusicoccin A-Thf
α-D-Glucopyranoside, (1S,3aS,4R,5R,6R,7aS,10aS,10bR,11E)-1,2,3,3a,4,5,6,7a,8,9,10a,10b-dodecahydro-5-hydroxy-1-(methoxymethyl)-4,10b-dimethyl-7-(1-methylethyl)cyclopenta[4',5']cycloocta[1',2':4,5] cyclopenta[1,2-b]furan-6-yl 4,6-O-(1-methylethylidene)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 699.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.0±6.0 kJ/mol
Flash Point: 376.6±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 151.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 509.28
ACD/KOC (pH 5.5): 3014.68
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 509.27
ACD/KOC (pH 7.4): 3014.66
Polar Surface Area: 116 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 461.3±5.0 cm3

Click to predict properties on the Chemicalize site


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