Found 1 result

Search term: C45H75NO18 (Found by molecular formula)

ChemSpider 2D Image | [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-14-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-12-{[3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranosyl]oxy}-2-ethyl-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexa
deca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside | C45H75NO18

[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-14-[(6-Deoxy-α-L-mannopyranosyl)oxy]-12-{[3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-2-ethyl-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexa deca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-β-D-allopyranoside

  • Molecular FormulaC45H75NO18
  • Average mass918.073 Da
  • Monoisotopic mass917.498413 Da
  • ChemSpider ID8994914
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 22 of 22 defined stereocentres


More details:






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

[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-14-[(6-Deoxy-α-L-mannopyranosyl)oxy]-12-{[3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-2-ethyl-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexa deca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-β-D-allopyranoside [ACD/IUPAC Name]
[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-14-[(6-Desoxy-α-L-mannopyranosyl)oxy]-12-{[3,6-didesoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-2-ethyl-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohe xadeca-4,6-dien-3-yl]methyl-6-desoxy-2,3-di-O-methyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2,3-di-O-méthyl-β-D-allopyranoside de [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-14-[(6-désoxy-α-L-mannopyranosyl)oxy]-12-{[3,6-didésoxy-3-(diméthylamino)-β-D-glucopyranosyl]oxy}-2-éthyl-5,9 ,13-triméthyl-8,16-dioxo-11-(2-oxoéthyl)oxacyclohexadéca-4,6-dién-3-yl]méthyle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-11,13-diene-7-acetaldehyde, 15-[[(6-deoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy]methyl]-4-[(6-deoxy-α-L-mannopyranosyl)oxy]-6-[[3,6-dideoxy-3-(dimethylamino)-β-D-glucopyrano syl]oxy]-16-ethyl-5,9,13-trimethyl-2,10-dioxo-, (4R,5S,6S,7R,9R,11E,13E,15R,16R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1000.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.4±6.0 kJ/mol
Flash Point: 559.0±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 230.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.12
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.09
ACD/KOC (pH 7.4): 48.06
Polar Surface Area: 259 Å2
Polarizability: 91.5±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 717.2±5.0 cm3

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