ChemSpider 2D Image | (3R,4S,5S,6R)-5-Methoxy-4-[(2S,3S)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl (chloroacetyl)carbamate | C19H28ClNO6

(3R,4S,5S,6R)-5-Methoxy-4-[(2S,3S)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl (chloroacetyl)carbamate

  • Molecular FormulaC19H28ClNO6
  • Average mass401.882 Da
  • Monoisotopic mass401.160522 Da
  • ChemSpider ID21246977

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2-Chloroacétyl)carbamate de (3R,4S,5S,6R)-5-méthoxy-4-[(2S,3S)-2-méthyl-3-(3-méthyl-2-butén-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yle [French] [ACD/IUPAC Name]
(3R,4S,5S,6R)-5-Methoxy-4-[(2S,3S)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl (chloroacetyl)carbamate [ACD/IUPAC Name]
(3R,4S,5S,6R)-5-Methoxy-4-[(2S,3S)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl-(chloracetyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(2-chloroacetyl)-, (3R,4S,5S,6R)-5-methoxy-4-[(2S,3S)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester [ACD/Index Name]
129298-91-5 [RN]

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

TNP 470 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.535
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.30
ACD/KOC (pH 5.5): 287.95
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 7.59
ACD/KOC (pH 7.4): 113.17
Polar Surface Area: 90 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 318.5±5.0 cm3

Click to predict properties on the Chemicalize site


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