ChemSpider 2D Image | MFCD00878774 | C25H29NO10

MFCD00878774

  • Molecular FormulaC25H29NO10
  • Average mass503.499 Da
  • Monoisotopic mass503.179138 Da
  • ChemSpider ID22905997

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5α)-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphinan-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(5α)-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphinan-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
22135-79-1 [RN]
Acide β-D-glucopyranosiduronique de (5α)-17-allyl-14-hydroxy-6-oxo-4,5-époxymorphinane-3-yle [French] [ACD/IUPAC Name]
MFCD00878774
Morphinan-6-one, 4,5-epoxy-3-(β-D-glucopyranuronosyloxy)-14-hydroxy-17-(2-propen-1-yl)-, (5α)- [ACD/Index Name]
Naloxone-3-glucuronide
(5?)-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphinan-3-yl(5?)-?-D-lyxo-hexopyranosiduronic acid
Naloxone 3-b-D-glucuronide

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

86O922U8J0 [DBID]
UNII:86O922U8J0 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 786.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.5±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -3.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 93.0±5.0 dyne/cm
Molar Volume: 309.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement