ChemSpider 2D Image | tert-butyl 1-(hydroxymethyl)cyclobutyl {iminobis[(2S,3R)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate | C31H45N3O7

tert-butyl 1-(hydroxymethyl)cyclobutyl {iminobis[(2S,3R)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate

  • Molecular FormulaC31H45N3O7
  • Average mass571.705 Da
  • Monoisotopic mass571.325745 Da
  • ChemSpider ID405232

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{Iminobis[(2S,3R)-3-hydroxy-1-phényl-4,2-butanediyl]}biscarbamate de 1-(hydroxyméthyl)cyclobutyle et de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-(Hydroxymethyl)cyclobutyl 2-methyl-2-propanyl {iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butanediyl]}biscarbamate [ACD/IUPAC Name]
1-(Hydroxymethyl)cyclobutyl-2-methyl-2-propanyl-{iminobis[(2S,3R)-3-hydroxy-1-phenyl-4,2-butandiyl]}biscarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, 1-(hydroxymethyl)cyclobutyl ester [ACD/Index Name]
tert-butyl 1-(hydroxymethyl)cyclobutyl {iminobis[(2S,3R)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate
{(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,3S)-2-hydroxy-3-(1-hydroxymethyl-cyclobutoxycarbonylamino)-4-phenyl-butylamino]-propyl}-carbamic acid tert-butyl ester
1-(HYDROXYMETHYL)CYCLOBUTYL N-[(2S,3R)-4-{[(2R,3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]CARBAMATE
162540-60-5 [RN]
BMS-182193 analog
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL435594/

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

AIDS025458 [DBID]
AIDS-025458 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 765.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 416.6±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 156.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.49
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 18.95
ACD/KOC (pH 7.4): 123.77
Polar Surface Area: 149 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 463.1±5.0 cm3

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