ChemSpider 2D Image | Methyl (5R)-2,3-dideoxy-5-{(1S,3S,5E,7R)-7-[(4S)-2,2-diisopropyl-1,3-dioxolan-4-yl]-1-methoxy-3,5-dimethyl-5-decen-9-yn-1-yl}-2-methyl-4-O-methyl-alpha-D-erythro-pentopyranoside | C30H52O6

Methyl (5R)-2,3-dideoxy-5-{(1S,3S,5E,7R)-7-[(4S)-2,2-diisopropyl-1,3-dioxolan-4-yl]-1-methoxy-3,5-dimethyl-5-decen-9-yn-1-yl}-2-methyl-4-O-methyl-α-D-erythro-pentopyranoside

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID9224631
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(5R)-2,3-Didésoxy-5-{(1S,3S,5E,7R)-7-[(4S)-2,2-diisopropyl-1,3-dioxolan-4-yl]-1-méthoxy-3,5-diméthyl-5-décén-9-yn-1-yl}-2-méthyl-4-O-méthyl-α-D-érythro-pentopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl (5R)-2,3-dideoxy-5-{(1S,3S,5E,7R)-7-[(4S)-2,2-diisopropyl-1,3-dioxolan-4-yl]-1-methoxy-3,5-dimethyl-5-decen-9-yn-1-yl}-2-methyl-4-O-methyl-α-D-erythro-pentopyranoside [ACD/IUPAC Name]
Methyl-(5R)-2,3-didesoxy-5-{(1S,3S,5E,7R)-7-[(4S)-2,2-diisopropyl-1,3-dioxolan-4-yl]-1-methoxy-3,5-dimethyl-5-decen-9-in-1-yl}-2-methyl-4-O-methyl-α-D-erythro-pentopyranosid [German] [ACD/IUPAC Name]
α-D-erythro-Pentopyranoside, methyl 5-C-[(1S,3S,5E,7R)-7-[(4S)-2,2-bis(1-methylethyl)-1,3-dioxolan-4-yl]-1-methoxy-3,5-dimethyl-5-decen-9-yn-1-yl]-2,3-dideoxy-2-methyl-4-O-methyl-, (5R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 560.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 204.1±30.0 °C
Index of Refraction: 1.487
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15389.55
ACD/KOC (pH 5.5): 34578.33
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 15389.55
ACD/KOC (pH 7.4): 34578.33
Polar Surface Area: 55 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 36.4±5.0 dyne/cm
Molar Volume: 502.3±5.0 cm3

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