ChemSpider 2D Image | (2R,3R,4R)-6-Cyclohexyl-3,4-dihydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-{[(2S)-3-hydroxy-2-{[(1-naphthyloxy)acetyl]amino}propanoyl]amino}-2-isopropylhexanamide | C39H51N3O8

(2R,3R,4R)-6-Cyclohexyl-3,4-dihydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-{[(2S)-3-hydroxy-2-{[(1-naphthyloxy)acetyl]amino}propanoyl]amino}-2-isopropylhexanamide

  • Molecular FormulaC39H51N3O8
  • Average mass689.838 Da
  • Monoisotopic mass689.367615 Da
  • ChemSpider ID4586911

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(2R,3R,4R)-6-Cyclohexyl-3,4-dihydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-{[(2S)-3-hydroxy-2-{[(1-naphthyloxy)acetyl]amino}propanoyl]amino}-2-isopropylhexanamid [German] [ACD/IUPAC Name]
(2R,3R,4R)-6-Cyclohexyl-3,4-dihydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-{[(2S)-3-hydroxy-2-{[(1-naphthyloxy)acetyl]amino}propanoyl]amino}-2-isopropylhexanamide [ACD/IUPAC Name]
(2R,3R,4R)-6-Cyclohexyl-3,4-dihydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]-5-{[(2S)-3-hydroxy-2-{[2-(1-naphtyloxy)acétyl]amino}propanoyl]amino}-2-isopropylhexanamide [French] [ACD/IUPAC Name]
(2R,3R,4R)-6-CYCLOHEXYL-3,4-DIHYDROXY-N-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-5-[(2S)-3-HYDROXY-2-[2-(NAPHTHALEN-1-YLOXY)ACETAMIDO]PROPANAMIDO]-2-ISOPROPYLHEXANAMIDE
146363-87-3 [RN]
L-Idonamide, 6-cyclohexyl-2,5,6-trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-((3-hydroxy-2-(((1-naphthalenyloxy)acetyl)amino)-1-oxopropyl)amino)-2-(1-methylethyl)-, (1S-(1a(R*),2a))-
L-Idonamide, 6-cyclohexyl-2,5,6-trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-[[3-hydroxy-2-[[(1-naphthalenyloxy)acetyl]amino]-1-oxopropyl]amino]-2-(1-methylethyl)-, [1S-[1a(R*),2a]]-
Noa-Ser-CVD-Ahi

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

AIDS045085 [DBID]
AIDS-045085 [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: 1042.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.7±3.0 kJ/mol
Flash Point: 584.2±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 190.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 958.67
ACD/KOC (pH 5.5): 4738.06
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 958.66
ACD/KOC (pH 7.4): 4738.02
Polar Surface Area: 177 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 530.6±5.0 cm3

Click to predict properties on the Chemicalize site


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