ChemSpider 2D Image | (16S)-1'-{[1-(Hydroxymethyl)cyclopropyl]carbonyl}-10,14-dioxospiro[2-oxa-11,15-diazatricyclo[16.2.2.1~3,7~]tricosa-1(20),3(23),4,6,18,21-hexaene-9,4'-piperidine]-16-carboxylic acid | C30H35N3O7

(16S)-1'-{[1-(Hydroxymethyl)cyclopropyl]carbonyl}-10,14-dioxospiro[2-oxa-11,15-diazatricyclo[16.2.2.13,7]tricosa-1(20),3(23),4,6,18,21-hexaene-9,4'-piperidine]-16-carboxylic acid

  • Molecular FormulaC30H35N3O7
  • Average mass549.615 Da
  • Monoisotopic mass549.247498 Da
  • ChemSpider ID62723486

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(16S)-1'-{[1-(Hydroxymethyl)cyclopropyl]carbonyl}-10,14-dioxospiro[2-oxa-11,15-diazatricyclo[16.2.2.13,7]tricosa-1(20),3(23),4,6,18,21-hexaene-9,4'-piperidine]-16-carboxylic acid [ACD/IUPAC Name]
Spiro[2-oxa-11,15-diazatricyclo[16.2.2.13,7]tricosa-3,5,7(23),18,20,21-hexaene-9,4'-piperidine]-16-carboxylic acid, 1'-[[1-(hydroxymethyl)cyclopropyl]carbonyl]-10,14-dioxo-, (16S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 912.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.0±3.0 kJ/mol
Flash Point: 505.8±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 145.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.23
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 395.9±5.0 cm3

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