ChemSpider 2D Image | (1S,3E)-1-(Benzyloxy)-4-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[(4R,4'R,5R)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-3-buten-2-ol (non-preferred name ) | C35H46O10

(1S,3E)-1-(Benzyloxy)-4-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[(4R,4'R,5R)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-3-buten-2-ol (non-preferred name )

  • Molecular FormulaC35H46O10
  • Average mass626.734 Da
  • Monoisotopic mass626.309082 Da
  • ChemSpider ID8897960

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(1S,3E)-1-(Benzyloxy)-4-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[(4R,4'R,5R)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-3-buten-2-ol (non-preferred name ) [ACD/IUPAC Name]
(1S,3E)-1-(Benzyloxy)-4-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[(4R,4'R,5R)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-3-buten-2-ol (non-preferred name ) [German] [ACD/IUPAC Name]
(1S,3E)-1-(Benzyloxy)-4-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-diméthyltétrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[(4R,4'R,5R)-2,2,2',2'-tétraméthyl-4,4'-bi-1,3-dioxol-5-yl]-3-butén-2-ol (non-preferred name ) [French] [ACD/IUPAC 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: 697.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 375.6±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 166.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 15111.38
ACD/KOC (pH 5.5): 34129.78
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 15111.35
ACD/KOC (pH 7.4): 34129.71
Polar Surface Area: 103 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 499.1±5.0 cm3

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