ChemSpider 2D Image | (S)-3-[4-(Benzyloxy)phenyl]-3-[(3R,4R)-3,4-bis(triisopropylsilyloxy)-3,4-dihydro-2H-pyran-6-yl]propanoic acid | C39H62O6Si2

(S)-3-[4-(Benzyloxy)phenyl]-3-[(3R,4R)-3,4-bis(triisopropylsilyloxy)-3,4-dihydro-2H-pyran-6-yl]propanoic acid

  • Molecular FormulaC39H62O6Si2
  • Average mass683.077 Da
  • Monoisotopic mass682.408508 Da
  • ChemSpider ID24776180

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(S)-3-[4-(Benzyloxy)phenyl]-3-[(3R,4R)-3,4-bis(triisopropylsilyloxy)-3,4-dihydro-2H-pyran-6-yl]propanoic acid
1,5-Anhydro-1-{(1S)-1-[4-(benzyloxy)phenyl]-2-carboxyethyl}-2-deoxy-3,4-bis-O-(triisopropylsilyl)-D-threo-pent-1-enitol [ACD/IUPAC Name]
1,5-Anhydro-1-{(1S)-1-[4-(benzyloxy)phenyl]-2-carboxyethyl}-2-desoxy-3,4-bis-O-(triisopropylsilyl)-D-threo-pent-1-enitol [German] [ACD/IUPAC Name]
1,5-Anhydro-1-{(1S)-1-[4-(benzyloxy)phényl]-2-carboxyéthyl}-2-désoxy-3,4-bis-O-(triisopropylsilyl)-D-thréo-pent-1-énitol [French] [ACD/IUPAC Name]
D-lyxo-Oct-4-enonic acid, 4,8-anhydro-2,3,5-trideoxy-3-[4-(phenylmethoxy)phenyl]-6,7-bis-O-[tris(1-methylethyl)silyl]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 674.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 361.8±31.5 °C
Index of Refraction: 1.522
Molar Refractivity: 200.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 11.39
ACD/LogD (pH 5.5): 9.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 814259.44
ACD/LogD (pH 7.4): 7.20
ACD/BCF (pH 7.4): 42101.83
ACD/KOC (pH 7.4): 13074.14
Polar Surface Area: 74 Å2
Polarizability: 79.3±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 655.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement