Found 132 results

Search term: MF = 'C_{18}H_{24}O_{7}'
ChemSpider 2D Image | (1aR,2S,3S,3aR,5R,7aS,7bS)-2,3,3a-Trihydroxy-6,6-dimethyl-1a-(3-methyl-3-buten-1-yn-1-yl)octahydro-1aH-oxireno[h]chromen-5-yl acetate | C18H24O7

(1aR,2S,3S,3aR,5R,7aS,7bS)-2,3,3a-Trihydroxy-6,6-dimethyl-1a-(3-methyl-3-buten-1-yn-1-yl)octahydro-1aH-oxireno[h]chromen-5-yl acetate

  • Molecular FormulaC18H24O7
  • Average mass352.379 Da
  • Monoisotopic mass352.152191 Da
  • ChemSpider ID32674938

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1aR,2S,3S,3aR,5R,7aS,7bS)-2,3,3a-Trihydroxy-6,6-dimethyl-1a-(3-methyl-3-buten-1-in-1-yl)octahydro-1aH-oxireno[h]chromen-5-yl-acetat [German] [ACD/IUPAC Name]
(1aR,2S,3S,3aR,5R,7aS,7bS)-2,3,3a-Trihydroxy-6,6-dimethyl-1a-(3-methyl-3-buten-1-yn-1-yl)octahydro-1aH-oxireno[h]chromen-5-yl acetate [ACD/IUPAC Name]
3H-Oxireno[h][1]benzopyran-2,3,3a,5(4H)-tetrol, hexahydro-6,6-dimethyl-1a-(3-methyl-3-buten-1-yn-1-yl)-, 5-acetate, (1aR,2S,3S,3aR,5R,7aS,7bS)- [ACD/Index Name]
Acétate de (1aR,2S,3S,3aR,5R,7aS,7bS)-2,3,3a-trihydroxy-6,6-diméthyl-1a-(3-méthyl-3-butén-1-yn-1-yl)octahydro-1aH-oxiréno[h]chromén-5-yle [French] [ACD/IUPAC Name]
oxirapentyn J

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

Density: 1.4±0.1 g/cm3
Boiling Point: 490.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.3±6.0 kJ/mol
Flash Point: 172.8±22.2 °C
Index of Refraction: 1.585
Molar Refractivity: 86.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.60
ACD/KOC (pH 5.5): 1036.53
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.60
ACD/KOC (pH 7.4): 1036.52
Polar Surface Area: 109 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 258.8±5.0 cm3

Click to predict properties on the Chemicalize site


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