ChemSpider 2D Image | (3R,5R,6S,7S,9R,11E,13R,14S)-14-[(1R)-1-Hydroxyethyl]-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-alpha-D-xylo-hexopyranoside | C28H47NO8

(3R,5R,6S,7S,9R,11E,13R,14S)-14-[(1R)-1-Hydroxyethyl]-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-α-D-xylo-hexopyranoside

  • Molecular FormulaC28H47NO8
  • Average mass525.675 Da
  • Monoisotopic mass525.330139 Da
  • ChemSpider ID9759265

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3R,5R,6S,7S,9R,11E,13R,14S)-14-[(1R)-1-Hydroxyethyl]-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-α-D-xylo-hexopyranoside [ACD/IUPAC Name]
(3R,5R,6S,7S,9R,11E,13R,14S)-14-[(1R)-1-Hydroxyethyl]-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl-3,4,6-tridesoxy-3-(dimethylamino)-α-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylamino)-α-D-xylo-hexopyranoside de (3R,5R,6S,7S,9R,11E,13R,14S)-14-[(1R)-1-hydroxyéthyl]-3,5,7,9,13-pentaméthyl-2,4,10-trioxooxacyclotétradéc-11-én-6-yle [French] [ACD/IUPAC Name]
Oxacyclotetradec-11-ene-2,4,10-trione, 14-[(1R)-1-hydroxyethyl]-3,5,7,9,13-pentamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-α-D-xylo-hexopyranosyl]oxy]-, (3R,5R,6S,7S,9R,11E,13R,14S)- [ACD/Index Name]
neopikromycin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 684.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±6.0 kJ/mol
Flash Point: 367.6±31.5 °C
Index of Refraction: 1.520
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 48.40
Polar Surface Area: 123 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 459.4±5.0 cm3

Click to predict properties on the Chemicalize site


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