Found 6 results

Search term: MF = 'C_{43}H_{60}O_{7}'
ChemSpider 2D Image | (1S,5R)-1,5-Diallyl-1,5-anhydro-3-O-benzyl-2-O-[4-(1,3-dioxolan-2-yl)-1-buten-2-yl]-2-C-methyl-4-O-{5-[(pentamethylbenzyl)oxy]-1-penten-2-yl}-D-xylitol | C43H60O7

(1S,5R)-1,5-Diallyl-1,5-anhydro-3-O-benzyl-2-O-[4-(1,3-dioxolan-2-yl)-1-buten-2-yl]-2-C-methyl-4-O-{5-[(pentamethylbenzyl)oxy]-1-penten-2-yl}-D-xylitol

  • Molecular FormulaC43H60O7
  • Average mass688.932 Da
  • Monoisotopic mass688.433899 Da
  • ChemSpider ID9789299

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,5R)-1,5-Diallyl-1,5-anhydro-3-O-benzyl-2-O-[4-(1,3-dioxolan-2-yl)-1-buten-2-yl]-2-C-methyl-4-O-{5-[(pentamethylbenzyl)oxy]-1-penten-2-yl}-D-xylitol [ACD/IUPAC Name]
(1S,5R)-1,5-Diallyl-1,5-anhydro-3-O-benzyl-2-O-[4-(1,3-dioxolan-2-yl)-1-buten-2-yl]-2-C-methyl-4-O-{5-[(pentamethylbenzyl)oxy]-1-penten-2-yl}-D-xylitol [German] [ACD/IUPAC Name]
(1S,5R)-1,5-Diallyl-1,5-anhydro-3-O-benzyl-2-O-[4-(1,3-dioxolan-2-yl)-1-butén-2-yl]-2-C-méthyl-4-O-{5-[(pentaméthylbenzyl)oxy]-1-pentén-2-yl}-D-xylitol [French] [ACD/IUPAC Name]
D-gluco-Oct-7-enitol, 1,5-anhydro-6,7,8-trideoxy-2-O-[3-(1,3-dioxolan-2-yl)-1-methylenepropyl]-2-C-methyl-4-O-[1-methylene-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]butyl]-3-O-(phenylmethyl)-1-C-2-prope n-1-yl-, (1S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 761.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 268.7±32.8 °C
Index of Refraction: 1.545
Molar Refractivity: 201.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 10.43
ACD/LogD (pH 5.5): 9.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3731600.25
ACD/LogD (pH 7.4): 9.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3731600.25
Polar Surface Area: 65 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 637.8±5.0 cm3

Click to predict properties on the Chemicalize site


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