Found 8 results

Search term: MF = 'C_{31}H_{58}N_{2}O_{10}'
ChemSpider 2D Image | (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-10-Ethoxy-2-ethyl-3,4,13-trihydroxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadecan-11-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosi de | C31H58N2O10

(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-10-Ethoxy-2-ethyl-3,4,13-trihydroxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadecan-11-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosi de

  • Molecular FormulaC31H58N2O10
  • Average mass618.800 Da
  • Monoisotopic mass618.409119 Da
  • ChemSpider ID17256246

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-10-Ethoxy-2-ethyl-3,4,13-trihydroxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadecan-11-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosi de [ACD/IUPAC Name]
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-10-Ethoxy-2-ethyl-3,4,13-trihydroxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadecan-11-yl-3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexopyranos id [German] [ACD/IUPAC Name]
1-Oxa-7-azacyclopentadecane-6,15-dione, 10-ethoxy-2-ethyl-3,4,13-trihydroxy-3,5,8,10,12,14-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,11R,12S ,13S,14R)- [ACD/Index Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-10-éthoxy-2-éthyl-3,4,13-trihydroxy-3,5,8,10,12,14-hexaméthyl-6,15-dioxo-1-oxa-7-azacyclopentadécan -11-yle [French] [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: 764.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.9±6.0 kJ/mol
Flash Point: 416.0±32.9 °C
Index of Refraction: 1.529
Molar Refractivity: 162.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.07
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 54.67
Polar Surface Area: 167 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 526.0±5.0 cm3

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