ChemSpider 2D Image | Methyl (5R)-3-O-benzoyl-1-C-[(2S)-1-(benzyloxy)-2-propanyl]-2,4-dideoxy-5-[(2R,3S)-3-hydroxy-5-(4-methoxyphenoxy)-2-pentanyl]-2-methyl-4-methylene-beta-L-threo-pentopyranoside | C37H46O8

Methyl (5R)-3-O-benzoyl-1-C-[(2S)-1-(benzyloxy)-2-propanyl]-2,4-dideoxy-5-[(2R,3S)-3-hydroxy-5-(4-methoxyphenoxy)-2-pentanyl]-2-methyl-4-methylene-β-L-threo-pentopyranoside

  • Molecular FormulaC37H46O8
  • Average mass618.756 Da
  • Monoisotopic mass618.319275 Da
  • ChemSpider ID9257804

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5R)-3-O-Benzoyl-1-C-[(2S)-1-(benzyloxy)-2-propanyl]-2,4-didésoxy-5-[(2R,3S)-3-hydroxy-5-(4-méthoxyphénoxy)-2-pentanyl]-2-méthyl-4-méthylène-β-L-thréo-pentopyranoside de méthyle [French] [ACD/IUPAC Name]
L-threo-α-D-gulo-3-Undeculopyranoside, methyl 2,4,6,8,10-pentadeoxy-11-O-(4-methoxyphenyl)-2,4,8-trimethyl-6-methylene-1-O-(phenylmethyl)-, 5-benzoate [ACD/Index Name]
Methyl (5R)-3-O-benzoyl-1-C-[(2S)-1-(benzyloxy)-2-propanyl]-2,4-dideoxy-5-[(2R,3S)-3-hydroxy-5-(4-methoxyphenoxy)-2-pentanyl]-2-methyl-4-methylene-β-L-threo-pentopyranoside [ACD/IUPAC Name]
Methyl-(5R)-3-O-benzoyl-1-C-[(2S)-1-(benzyloxy)-2-propanyl]-2,4-didesoxy-5-[(2R,3S)-3-hydroxy-5-(4-methoxyphenoxy)-2-pentanyl]-2-methyl-4-methylen-β-L-threo-pentopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 695.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 208.9±25.0 °C
Index of Refraction: 1.573
Molar Refractivity: 173.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.83
ACD/LogD (pH 5.5): 7.23
ACD/BCF (pH 5.5): 185132.95
ACD/KOC (pH 5.5): 205135.72
ACD/LogD (pH 7.4): 7.23
ACD/BCF (pH 7.4): 185132.95
ACD/KOC (pH 7.4): 205135.72
Polar Surface Area: 93 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 527.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement