ChemSpider 2D Image | Naldemedine | C32H34N4O6

Naldemedine

  • Molecular FormulaC32H34N4O6
  • Average mass570.636 Da
  • Monoisotopic mass570.247864 Da
  • ChemSpider ID28530803
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(5α)-17-(Cyclopropylmethyl)-3,6,14-trihydroxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-propanyl]-6,7-didehydro-4,5-epoxymorphinan-7-carboxamid [German] [ACD/IUPAC Name]
(5α)-17-(Cyclopropylmethyl)-3,6,14-trihydroxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-propanyl]-6,7-didehydro-4,5-epoxymorphinan-7-carboxamide [ACD/IUPAC Name]
(5α)-17-(Cyclopropylméthyl)-3,6,14-trihydroxy-N-[2-(3-phényl-1,2,4-oxadiazol-5-yl)-2-propanyl]-6,7-didéhydro-4,5-époxymorphinane-7-carboxamide [French] [ACD/IUPAC Name]
916072-89-4 [RN]
9484
Morphinan-7-carboxamide, 17-(cyclopropylmethyl)-6,7-didehydro-4,5-epoxy-3,6,14-trihydroxy-N-[1-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-, (5α)- [ACD/Index Name]
(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide
S-297,995
S-297995

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

03KSI6WLXH [DBID]
UNII:03KSI6WLXH [DBID]
UNII-03KSI6WLXH [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.729
Molar Refractivity: 150.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.03
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.60
Polar Surface Area: 141 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 88.1±5.0 dyne/cm
Molar Volume: 378.1±5.0 cm3

Click to predict properties on the Chemicalize site





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