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Search term: 8184284 (Found by CSID)
ChemSpider 2D Image | (2R,3E)-5-(3-Chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-3-penten-2-yl 4-O-methyl-beta-D-glucopyranoside | C30H43ClO10

(2R,3E)-5-(3-Chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-3-penten-2-yl 4-O-methyl-β-D-glucopyranoside

  • Molecular FormulaC30H43ClO10
  • Average mass599.109 Da
  • Monoisotopic mass598.254456 Da
  • ChemSpider ID8184284

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,3E)-5-(3-Chlor-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-3-penten-2-yl-4-O-methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2R,3E)-5-(3-Chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-3-penten-2-yl 4-O-methyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-O-Méthyl-β-D-glucopyranoside de (2R,3E)-5-(3-chloro-5-formyl-2,6-dihydroxy-4-méthylphényl)-3-méthyl-1-[(1S,2R,6R)-1,2,6-triméthyl-3-oxocyclohexyl]-3-pentén-2-yle [French] [ACD/IUPAC Name]
Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,4R)-3-methyl-4-[(4-O-methyl-β-D-glucopyranosyl)oxy]-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2-penten-1-yl]- [ACD/Index Name]
Vertihemipterin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 767.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 418.2±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 151.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 594.88
ACD/KOC (pH 5.5): 3204.70
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 41.43
ACD/KOC (pH 7.4): 223.20
Polar Surface Area: 163 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 448.9±5.0 cm3

Click to predict properties on the Chemicalize site


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