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-(dimethylammonio)-beta-D-xylo-hexopyranoside | C28H48NO8

(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-(dimethylammonio)-β-D-xylo-hexopyranoside

  • Molecular FormulaC28H48NO8
  • Average mass526.682 Da
  • Monoisotopic mass526.337463 Da
  • ChemSpider ID34999378

  • Charge - Charge

    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-(dimethylammonio)-β-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-(dimethylammonio)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylammonio)-β-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)-β-D-xylo-hexopyranosyl]oxy]-, conjugate acid, (3R,5R,6S,7S,9R,11E,13R,14S )- [ACD/Index Name]
(3R,5R,6S,7S,9R,11E,13R,14S)-14-[(1R)-1-hydroxyethyl]-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranoside
neopikromycin
neopikromycin(1+)
  • Miscellaneous

    • Chemical Class:

      An organic cation obtained by protonation of the tertiary amino function of neopikromycin; major species at pH 7.3. ChEBI CHEBI:77350

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

Density:
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:
Molar Refractivity:
#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: 124 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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