ChemSpider 2D Image | (2xi)-3-O-Acetyl-1,2-O-isopropylidene-6-O-trityl-beta-L-threo-hexofuranos-5-ulose | C30H30O7

(2ξ)-3-O-Acetyl-1,2-O-isopropylidene-6-O-trityl-β-L-threo-hexofuranos-5-ulose

  • Molecular FormulaC30H30O7
  • Average mass502.555 Da
  • Monoisotopic mass502.199158 Da
  • ChemSpider ID23976472

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2ξ)-3-O-Acetyl-1,2-O-isopropyliden-6-O-trityl-β-L-threo-hexofuranos-5-ulose [German] [ACD/IUPAC Name]
(2ξ)-3-O-Acetyl-1,2-O-isopropylidene-6-O-trityl-β-L-threo-hexofuranos-5-ulose [ACD/IUPAC Name]
(2ξ)-3-O-Acétyl-1,2-O-isopropylidène-6-O-trityl-β-L-thréo-hexofuranos-5-ulose [French] [ACD/IUPAC Name]
β-L-threo-Hexofuranos-5-ulose, 1,2-O-(1-methylethylidene)-6-O-(triphenylmethyl)-, 3-acetate, (2ξ)- [ACD/Index Name]
109680-98-0 [RN]
3-Acetyl-1,2-O-isopropylidene-6-O-trityl-?-L-arabino-hexofuranos-5-ulose
3-Acetyl-1,2-O-isopropylidene-6-O-trityl-b-L-arabino-hexofuranos-5-ulose
3-Acetyl-1,2-O-isopropylidene-6-O-trityl-β-L-arabino-hexofuranos-5-ulose
3-ACETYL-1,2-O-ISOPROPYLIDENE-6-O-TRITYL-β-L-ARABINO-HEXOFURANOS-5-ULOSE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 256.1±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.35
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37358.27
ACD/KOC (pH 5.5): 65237.60
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37358.27
ACD/KOC (pH 7.4): 65237.60
Polar Surface Area: 80 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 394.1±5.0 cm3

Click to predict properties on the Chemicalize site


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