ChemSpider 2D Image | 3-O-(4-O-Carbamoyl-2,6-dideoxyhexopyranosyl)-2,4-dideoxy-1-C-[4-(10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl)-3-hydroxy-2-pentanyl]-4-methyl-5 -(1-propen-1-yl)pentopyranose | C45H73NO14

3-O-(4-O-Carbamoyl-2,6-dideoxyhexopyranosyl)-2,4-dideoxy-1-C-[4-(10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl)-3-hydroxy-2-pentanyl]-4-methyl-5 -(1-propen-1-yl)pentopyranose

  • Molecular FormulaC45H73NO14
  • Average mass852.059 Da
  • Monoisotopic mass851.503113 Da
  • ChemSpider ID2930700

More details:

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

3-O-(4-O-Carbamoyl-2,6-dideoxyhexopyranosyl)-2,4-dideoxy-1-C-[4-(10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl)-3-hydroxy-2-pentanyl]-4-methyl-5 -(1-propen-1-yl)pentopyranose [ACD/IUPAC Name]
3-O-(4-O-Carbamoyl-2,6-didesoxyhexopyranosyl)-2,4-didesoxy-1-C-[4-(10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl)-3-hydroxy-2-pentanyl]-4-methyl -5-(1-propen-1-yl)pentopyranose [German] [ACD/IUPAC Name]
3-O-(4-O-Carbamoyl-2,6-didésoxyhexopyranosyl)-2,4-didésoxy-1-C-[4-(10,12-dihydroxy-3,17-diméthoxy-7,9,11,13,15-pentaméthyl-18-oxooxacyclooctadéca-4,6,14,16-tétraén-2-yl)-3-hydroxy-2-pentanyl]-4-méthyl -5-(1-propén-1-yl)pentopyranose [French] [ACD/IUPAC Name]
Pentopyranose, 3-O-[4-O-(aminocarbonyl)-2,6-dideoxyhexopyranosyl]-2,4-dideoxy-1-C-[3-(10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl)-2-hydroxy-1 -methylbutyl]-4-methyl-5-C-1-propen-1-yl- [ACD/Index 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: 960.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.6±6.0 kJ/mol
Flash Point: 534.5±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 226.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 424.72
ACD/KOC (pH 5.5): 2647.28
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 424.71
ACD/KOC (pH 7.4): 2647.25
Polar Surface Area: 226 Å2
Polarizability: 89.8±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 704.7±5.0 cm3

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