ChemSpider 2D Image | (14E)-2-{[(6-Deoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl}-3-ethyl-7-hydroxy-8,12,16-trimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl 2,3,6-trideoxy-4-O-(2,6-dideoxy- 3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranoside | C46H77NO17

(14E)-2-{[(6-Deoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl}-3-ethyl-7-hydroxy-8,12,16-trimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl 2,3,6-trideoxy-4-O-(2,6-dideoxy- 3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranoside

  • Molecular FormulaC46H77NO17
  • Average mass916.100 Da
  • Monoisotopic mass915.519165 Da
  • ChemSpider ID4942753

  • Double-bond stereo - Double-bond stereo

More details:

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

(14E)-2-{[(6-Deoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl}-3-ethyl-7-hydroxy-8,12,16-trimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl 2,3,6-trideoxy-4-O-(2,6-dideoxy- 3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranoside [ACD/IUPAC Name]
(14E)-2-{[(6-Desoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl}-3-ethyl-7-hydroxy-8,12,16-trimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl-2,3,6-tridesoxy-4-O-(2,6-dideso xy-3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-4-O-(2,6-didésoxy-3-C-méthylhexopyranosyl)-3-(diméthylamino)hexopyranoside de (14E)-2-{[(6-désoxy-2,3-di-O-méthylhexopyranosyl)oxy]méthyl}-3-éthyl-7-hydroxy-8,12,16-triméthyl-5,13-diox o-10-(2-oxoéthyl)-4,17-dioxabicyclo[14.1.0]heptadéc-14-én-9-yle [French] [ACD/IUPAC Name]
4,17-Dioxabicyclo[14.1.0]heptadec-14-ene-10-acetaldehyde, 2-[[(6-deoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl]-3-ethyl-7-hydroxy-8,12,16-trimethyl-5,13-dioxo-9-[[2,3,6-trideoxy-4-O-(2,6-dideoxy-3-C-m ethylhexopyranosyl)-3-(dimethylamino)hexopyranosyl]oxy]-, (14E)- [ACD/Index Name]
1402-83-1 [RN]
Angolamycin
Angolamycin, BRN 6045489

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

BRN 6045489 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 959.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.4±6.0 kJ/mol
Flash Point: 534.1±34.3 °C
Index of Refraction: 1.547
Molar Refractivity: 232.3±0.4 cm3
#H bond acceptors: 18
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.10
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.16
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 3.77
ACD/KOC (pH 7.4): 59.02
Polar Surface Area: 231 Å2
Polarizability: 92.1±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 732.4±5.0 cm3

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