ChemSpider 2D Image | (1R,3S)-3-Amino-1-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(4S,4'R,5R)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-1-propanol | C27H41NO9

(1R,3S)-3-Amino-1-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(4S,4'R,5R)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-1-propanol

  • Molecular FormulaC27H41NO9
  • Average mass523.616 Da
  • Monoisotopic mass523.278137 Da
  • ChemSpider ID9039586

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(1R,3S)-3-Amino-1-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(4S,4'R,5R)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-1-propanol [ACD/IUPAC Name]
(1R,3S)-3-Amino-1-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(4S,4'R,5R)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-1-propanol [German] [ACD/IUPAC Name]
(1R,3S)-3-Amino-1-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-diméthyltétrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(4S,4'R,5R)-2,2,2',2'-tétraméthyl-4,4'-bi-1,3-dioxol-5-yl]-1-propanol [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: 613.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 324.8±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.84
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 7.59
ACD/KOC (pH 7.4): 62.92
Polar Surface Area: 120 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 413.0±5.0 cm3

Click to predict properties on the Chemicalize site


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