ChemSpider 2D Image | valsartan benzyl ester | C31H35N5O3

valsartan benzyl ester

  • Molecular FormulaC31H35N5O3
  • Average mass525.641 Da
  • Monoisotopic mass525.273987 Da
  • ChemSpider ID9458888
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(N-VALERYL-N-{[2'-(1HTETRAZOLE-5-YL)BIPHENYL-4-YL]METHYL}-L-VALINEBENZYL ESTER)
(S)-N-Valeryl-N-([2'-(1H-tetrazole-5-yl)-biphenyl-4-yl]methyl)valine benzyl ester
137863-20-8 [RN]
15728433 [Beilstein]
benzyl (2S)-3-methyl-2-(N-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}pentanamido)butanoate
Benzyl N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valinate
Benzyl N-pentanoyl-N-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-L-valinate [ACD/IUPAC Name]
Benzyl N-pentanoyl-N-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valinate
Benzyl-N-pentanoyl-N-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-L-valinat [German] [ACD/IUPAC Name]
L-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, phenylmethyl ester [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2P0MPU907C [DBID]
UNII:2P0MPU907C [DBID]
UNII-2P0MPU907C [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: 720.1±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.2±3.0 kJ/mol
    Flash Point: 389.3±35.7 °C
    Index of Refraction: 1.589
    Molar Refractivity: 150.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 7.16
    ACD/LogD (pH 5.5): 4.84
    ACD/BCF (pH 5.5): 1397.00
    ACD/KOC (pH 5.5): 2690.43
    ACD/LogD (pH 7.4): 4.15
    ACD/BCF (pH 7.4): 279.61
    ACD/KOC (pH 7.4): 538.50
    Polar Surface Area: 101 Å2
    Polarizability: 59.4±0.5 10-24cm3
    Surface Tension: 51.5±3.0 dyne/cm
    Molar Volume: 445.2±3.0 cm3

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