ChemSpider 2D Image | Cyclopentyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-6-oxo-1-phenyl-2-hexanyl]carbamate | C34H40N2O5

Cyclopentyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-6-oxo-1-phenyl-2-hexanyl]carbamate

  • Molecular FormulaC34H40N2O5
  • Average mass556.692 Da
  • Monoisotopic mass556.293701 Da
  • ChemSpider ID4586303

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2S,3S,5R)-5-Benzyl-3-hydroxy-6-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-6-oxo-1-phényl-2-hexanyl]carbamate de cyclopentyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,4R)-5-[[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]amino]-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl]-, cyclopentyl ester [ACD/Index Name]
Cyclopentyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-6-oxo-1-phenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
cyclopentyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-6-oxo-1-phenylhexan-2-yl]carbamate
Cyclopentyl-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-6-oxo-1-phenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
[1-Benzyl-2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-carbamic acid cyclopentyl ester
145631-04-5 [RN]
Carbamic acid, (5-((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, cyclopentyl ester, (1S-(1α(1R*,2R*,4S*),2α))-
Carbamic acid, [5-[(2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino]-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl]-, cyclopentyl ester, [1S-[1α(1R*,2R*,4S*),2α]]-
CYCLOPENTYL N-[(2S,3S,5R)-5-BENZYL-3-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]CARBAMOYL}-1-PHENYLPENTAN-2-YL]CARBAMATE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS004500 [DBID]
AIDS-004500 [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: 827.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.0±3.0 kJ/mol
Flash Point: 453.9±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 158.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3815.37
ACD/KOC (pH 5.5): 12742.58
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3815.28
ACD/KOC (pH 7.4): 12742.29
Polar Surface Area: 108 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 443.7±5.0 cm3

Click to predict properties on the Chemicalize site


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