ChemSpider 2D Image | Methyl 3-O-[(2E)-3-carboxy-2-propenoyl]-2,4-dideoxy-1-C-{3-hydroxy-4-[(4E,6E,12E,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2-pentanyl}-4,5-dim ethylpentopyranoside | C38H58O12

Methyl 3-O-[(2E)-3-carboxy-2-propenoyl]-2,4-dideoxy-1-C-{3-hydroxy-4-[(4E,6E,12E,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2-pentanyl}-4,5-dim ethylpentopyranoside

  • Molecular FormulaC38H58O12
  • Average mass706.860 Da
  • Monoisotopic mass706.392822 Da
  • ChemSpider ID4943202

  • Double-bond stereo - Double-bond stereo

More details:

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

3-O-[(2E)-3-Carboxy-2-propenoyl]-2,4-didésoxy-1-C-{3-hydroxy-4-[(4E,6E,12E,14E)-10-hydroxy-3,15-diméthoxy-7,9,11,13-tétraméthyl-16-oxooxacyclohexadéca-4,6,12,14-tétraén-2-yl]-2-pentanyl}-4,5-diméthylp entopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 3-O-[(2E)-3-carboxy-2-propenoyl]-2,4-dideoxy-1-C-{3-hydroxy-4-[(4E,6E,12E,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2-pentanyl}-4,5-dim ethylpentopyranoside [ACD/IUPAC Name]
Methyl-3-O-[(2E)-3-carboxy-2-propenoyl]-2,4-didesoxy-1-C-{3-hydroxy-4-[(4E,6E,12E,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2-pentanyl}-4,5-di methylpentopyranosid [German] [ACD/IUPAC Name]
Pentopyranoside, methyl 3-O-[(2E)-3-carboxy-1-oxo-2-propen-1-yl]-2,4-dideoxy-1-C-[2-hydroxy-3-[(4E,6E,12E,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen- 2-yl]-1-methylbutyl]-4-methyl-5-C-methyl- [ACD/Index Name]
142386-69-4 [RN]
Hygrolidin, 23-deethyl-2-demethyl-2-methoxy-23-methyl-19-O-methyl
PD 118576-A3
PD-118,576-A3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 819.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.5±6.0 kJ/mol
Flash Point: 242.2±27.8 °C
Index of Refraction: 1.538
Molar Refractivity: 187.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 4.92
ACD/KOC (pH 5.5): 25.69
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 167 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 601.1±5.0 cm3

Click to predict properties on the Chemicalize site


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